U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16N4
Molecular Weight 276.3357
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Phenyl-6-(phenylmethyl)-2,4-pyrimidinediamine

SMILES

NC1=NC(CC2=CC=CC=C2)=C(C(N)=N1)C3=CC=CC=C3

InChI

InChIKey=QDWJCZSWOFJJHM-UHFFFAOYSA-N
InChI=1S/C17H16N4/c18-16-15(13-9-5-2-6-10-13)14(20-17(19)21-16)11-12-7-3-1-4-8-12/h1-10H,11H2,(H4,18,19,20,21)

HIDE SMILES / InChI

Approval Year

Name Type Language
5-Phenyl-6-(phenylmethyl)-2,4-pyrimidinediamine
Systematic Name English
2,4-Pyrimidinediamine, 5-phenyl-6-(phenylmethyl)-
Preferred Name English
Code System Code Type Description
PUBCHEM
135015
Created by admin on Mon Mar 31 22:54:12 GMT 2025 , Edited by admin on Mon Mar 31 22:54:12 GMT 2025
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CAS
35650-73-8
Created by admin on Mon Mar 31 22:54:12 GMT 2025 , Edited by admin on Mon Mar 31 22:54:12 GMT 2025
PRIMARY
EPA CompTox
DTXSID80189160
Created by admin on Mon Mar 31 22:54:12 GMT 2025 , Edited by admin on Mon Mar 31 22:54:12 GMT 2025
PRIMARY
FDA UNII
43SM27MAE4
Created by admin on Mon Mar 31 22:54:12 GMT 2025 , Edited by admin on Mon Mar 31 22:54:12 GMT 2025
PRIMARY