6-Ethyl-5-phenylpyrimidine-2,4-diamine , CAS No.27653-49-2

CAS: 27653-49-2 Cat. No.: E667994 Molecular Weight: 214.27
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Synonyms
2,4-Diamino-5-phenyl-6-ethylpyrimidine | 6-ETHYL-5-PHENYLPYRIMIDINE-2,4-DIAMINE | 2,4-Diamino-6-ethyl-5-phenylpyrimidine | Diamino-5-phenyl-6-ethylpyrimidine, 2,4- | TCMDC-124296 | Pyrimidine, 2,4-diamino-6-ethyl-5-phenyl- | KMJ59LN22F | 5-Phenyl-6-ethyl-
Storage
Room temperature
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Size
Status
Price
Qty
1mg
E667994-1mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.

$571.90

$999.90
Save $428.00 (42.80%)
5mg
E667994-5mg
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$1,999.90

$2,999.90
Save $1,000.00 (33.33%)
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

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

📋

Quality documents

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

📚

Literature proof

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

Specifications

Synonyms
2, 4-Diamino-5-phenyl-6-ethylpyrimidine | 6-ETHYL-5-PHENYLPYRIMIDINE-2, 4-DIAMINE | 2, 4-Diamino-6-ethyl-5-phenylpyrimidine | Diamino-5-phenyl-6-ethylpyrimidine, 2, 4- | TCMDC-124296 | Pyrimidine, 2, 4-diamino-6-ethyl-5-phenyl- | KMJ59LN22F | 5-Phenyl-6-ethyl-
Storage
Room temperature
Product Properties
ALogP2.1
Names and Identifiers
Canonical SmilesCCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
IUPAC Name6-ethyl-5-phenylpyrimidine-2,4-diamine
InChIKeyXREDUPOVEQDQQS-UHFFFAOYSA-N
INCHI1S/C12H14N4/c1-2-9-10(8-6-4-3-5-7-8)11(13)16-12(14)15-9/h3-7H,2H2,1H3,(H4,13,14,15,16)
Isomeric SMILES CCC1=C(C(=NC(=N1)N)N)C2=CC=CC=C2
Molecular Weight 214.27
Reaxy-Rn 190097
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=190097&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

Download SDS →

✅ 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.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganoheterocyclic compounds
ClassDiazines
SubclassPyrimidines and pyrimidine derivatives
Intermediate Tree Nodes Not available
Direct ParentAminopyrimidines and derivatives
Alternative Parents Imidolactams  Benzene and substituted derivatives  Heteroaromatic compounds  Azacyclic compounds  Primary amines  Organopnictogen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic heteromonocyclic compounds
Substituents Aminopyrimidine - Imidolactam - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors aminopyrimidine
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
DHFR Tclin Dihydrofolate reductase (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
DHFR Tclin Dihydrofolate reductase (3072 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
SLC2A1 Tchem Glucose transporter (14755 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Huh-7 (12904 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HepG2 (196354 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
KB (17409 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEXB Tchem Beta-hexosaminidase subunit beta (131 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Plasmodium falciparum (966862 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Plasmodium yoelii (6656 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Vero (26788 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ht1 Hexose transporter 1 (14071 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HEXA Beta-hexosaminidase subunit alpha (1 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 Weight214.270 g/mol
XLogP32.100
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass214.122 Da
Monoisotopic Mass214.122 Da
Topological Polar Surface Area77.800 Ų
Heavy Atom Count16
Formal Charge0
Complexity215.000
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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