2-Amino-4-hydroxy-6-methylpyrimidine - ≥98%(HPLC)(T) , CAS No.3977-29-5

CAS: 3977-29-5 Cat. No.: A151322 Molecular Weight: 125.13 Beilstein Registry Number: 25(3/4)3704 EC Number: 223-612-1
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GRADE & PURITY ≥98%(HPLC)(T)
Synonyms
2-Amino-4-hydroxy-6-methylpyrimidine, 98% | 2-Amino-6-hydroxy-4-methylpyrimidine | 2-imino4-hydroxy-6-methylpyrimidine | 6-methyl-2-[(E)-phenyldiazenyl]pyridin-3-ol | EINECS 223-612-1 | KWXIPEYKZKIAKR-UHFFFAOYSA- | NSC-41833 | BBL023362 | AI3-08094 | NSC
Storage
Room temperature
Shipped In
Normal
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5g
A151322-5g
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A151322-25g
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50g
A151322-50g
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100g
A151322-100g
3

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500g
A151322-500g
1

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Why this grade

≥98%(HPLC)(T) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal Check lot-specific COA for exact specifications.

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Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

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Literature proof

Cited in 47 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2-Amino-4-hydroxy-6-methylpyrimidine, 98% | 2-Amino-6-hydroxy-4-methylpyrimidine | 2-imino4-hydroxy-6-methylpyrimidine | 6-methyl-2-[(E)-phenyldiazenyl]pyridin-3-ol | EINECS 223-612-1 | KWXIPEYKZKIAKR-UHFFFAOYSA- | NSC-41833 | BBL023362 | AI3-08094 | NSC
Specifications & Purity
≥98%(HPLC)(T)
Storage
Room temperature
Shipped In
Normal
Purity
≥98%(HPLC)(T)
Names and Identifiers
Pubchem Sid488202837
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488202837
Canonical SmilesCC1=CC(=O)NC(=N1)N
IUPAC Name2-amino-4-methyl-1H-pyrimidin-6-one
InChIKeyKWXIPEYKZKIAKR-UHFFFAOYSA-N
INCHI1S/C5H7N3O/c1-3-2-4(9)8-5(6)7-3/h2H,1H3,(H3,6,7,8,9)
Isomeric SMILES CC1=CC(=O)NC(=N1)N
WGK Germany 3
Molecular Weight 125.13
Beilstein 25(3/4)3704
Reaxy-Rn 3531
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3531&ln=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

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✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentPyrimidones
Alternative Parents Aminopyrimidines and derivatives  Hydropyrimidines  Vinylogous amides  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aminopyrimidine - Pyrimidone - Hydropyrimidine - Vinylogous amide - Heteroaromatic compound - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors hydroxypyrimidine - aminopyrimidine
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
BACE1 Tchem Beta-secretase 1 (15641 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Pseudomonas aeruginosa (123386 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Klebsiella pneumoniae (43867 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Staphylococcus aureus (210822 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Acinetobacter baumannii (41033 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Escherichia coli (133304 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Cryptococcus neoformans (21258 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Candida albicans (78123 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
EAPA Endothiapepsin (23 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

31 results found

Lot NumberCertificate TypeDateItem
A2622100Certificate of AnalysisSep 28, 2025 A151322
J2529362Certificate of AnalysisSep 28, 2025 A151322
J2529284Certificate of AnalysisSep 28, 2025 A151322
J2529281Certificate of AnalysisSep 28, 2025 A151322
J2529420Certificate of AnalysisSep 28, 2025 A151322
J2529421Certificate of AnalysisSep 28, 2025 A151322
J2127345Certificate of AnalysisAug 11, 2025 A151322
F2116074Certificate of AnalysisMar 04, 2025 A151322
C2511335Certificate of AnalysisJun 24, 2024 A151322
C2517762Certificate of AnalysisJun 24, 2024 A151322
L2216281Certificate of AnalysisDec 02, 2022 A151322
L2216280Certificate of AnalysisDec 02, 2022 A151322
L2216279Certificate of AnalysisDec 02, 2022 A151322
L2216255Certificate of AnalysisDec 02, 2022 A151322
L2216282Certificate of AnalysisDec 02, 2022 A151322
L2216283Certificate of AnalysisDec 02, 2022 A151322
L2216284Certificate of AnalysisDec 02, 2022 A151322
L2216285Certificate of AnalysisDec 02, 2022 A151322
L2216286Certificate of AnalysisDec 02, 2022 A151322
B2508092Certificate of AnalysisDec 02, 2022 A151322
I2217039Certificate of AnalysisJul 30, 2022 A151322
I2217035Certificate of AnalysisJul 30, 2022 A151322
I2217034Certificate of AnalysisJul 30, 2022 A151322
I2217033Certificate of AnalysisJul 30, 2022 A151322
K2229867Certificate of AnalysisJan 17, 2022 A151322
C2201258Certificate of AnalysisJan 17, 2022 A151322
C2201224Certificate of AnalysisJan 17, 2022 A151322
C2201222Certificate of AnalysisJan 17, 2022 A151322
C2201214Certificate of AnalysisJan 17, 2022 A151322
C2201209Certificate of AnalysisJan 17, 2022 A151322
B2309366Certificate of AnalysisSep 14, 2021 A151322

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Chemical and Physical Properties
SolubilitySolubility in HCl(1+3):almost transparency
Melt Point(°C)>300°C
Molecular Weight125.130 g/mol
XLogP3-0.900
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass125.059 Da
Monoisotopic Mass125.059 Da
Topological Polar Surface Area67.500 Ų
Heavy Atom Count9
Formal Charge0
Complexity204.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Citations of This Product
References
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47. Xuan Li, Yanan Zhang, Yating Zhang, Weiteng Lin, Hongbing Lu, Kemeng Ji, Mingming Chen.  (2026)  Gel Electrolyte Self-Healing via Dynamic Reversible Bonds for Stable Lithium Plating/Stripping in Lithium Metal Batteries.  ACS Applied Materials & Interfaces,      [PMID:41610373] [10.1021/acsami.5c22093]
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