2,6-DIAMINO-5-NITROSO-4-PYRIMIDINOL , CAS No.2387-48-6

CAS: 2387-48-6 Cat. No.: D168910 Molecular Weight: 155.117 EC Number: 219-214-2
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Synonyms
2387-48-6|2,4-DIAMINO-6-HYDROXY-5-NITROSOPYRIMIDINE|2,6-Diamino-5-nitroso-1H-pyrimidin-4-one|4(1H)-Pyrimidinone, 2,6-diamino-5-nitroso-|2,6-diamino-5-nitroso-4-pyrimidinol|4-Pyrimidinol, 2,6-diamino-5-nitroso-|2,6-diamino-5-nitrosopyrimidin-4(3H)-one|2,6-
Storage
Room temperature
Shipped In
Normal
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Size
Status
Price
Qty
1g
D168910-1g
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Why this grade

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 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
2387-48-6 | 2, 4-DIAMINO-6-HYDROXY-5-NITROSOPYRIMIDINE | 2, 6-Diamino-5-nitroso-1H-pyrimidin-4-one | 4(1H)-Pyrimidinone, 2, 6-diamino-5-nitroso- | 2, 6-diamino-5-nitroso-4-pyrimidinol | 4-Pyrimidinol, 2, 6-diamino-5-nitroso- | 2, 6-diamino-5-nitrosopyrimidin-4(3H)-one | 2, 6-
Storage
Room temperature
Shipped In
Normal
Names and Identifiers
Canonical SmilesC1(=C(N=C(NC1=O)N)N)N=O
IUPAC Name2,4-diamino-5-nitroso-1H-pyrimidin-6-one
InChIKeyHVMRLFSFHWCUCG-UHFFFAOYSA-N
INCHI1S/C4H5N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h(H5,5,6,7,8,10)
Isomeric SMILES C1(=C(N=C(NC1=O)N)N)N=O
Molecular Weight 155.117
Reaxy-Rn 5932469
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5932469&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  Propargyl-type 1,3-dipolar organic compounds  C-nitroso compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aminopyrimidine - Pyrimidone - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Organic nitroso compound - C-nitroso compound - Propargyl-type 1,3-dipolar organic compound - Azacycle - Organic 1,3-dipolar compound - Amine - Hydrocarbon derivative - Organic oxide - Primary amine - Organooxygen compound - Organonitrogen compound - Organopnictogen 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 Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
CDK1 Tchem Cyclin-dependent kinase 1 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CDK2 Tchem Cyclin-dependent kinase 2 (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
CDK2 Tchem Cyclin-dependent kinase 2 (9050 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
CDK1 Tchem Cyclin-dependent kinase 1 (3927 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Cdk4 Cyclin-dependent kinase 4 (3 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:
Chemical and Physical Properties
Molecular Weight155.120 g/mol
XLogP3-1.600
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass155.044 Da
Monoisotopic Mass155.044 Da
Topological Polar Surface Area123.000 Ų
Heavy Atom Count11
Formal Charge0
Complexity278.000
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
Solution Calculators
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