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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H7ClN4
Molecular Weight 230.653
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-((4-Chloropyrimidin-2-yl)amino)benzonitrile

SMILES

ClC1=CC=NC(NC2=CC=C(C=C2)C#N)=N1

InChI

InChIKey=QXCHAADSAYQDHL-UHFFFAOYSA-N
InChI=1S/C11H7ClN4/c12-10-5-6-14-11(16-10)15-9-3-1-8(7-13)2-4-9/h1-6H,(H,14,15,16)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-[(4-Chloro-2-pyrimidinyl)amino]benzonitrile
Preferred Name English
4-((4-Chloropyrimidin-2-yl)amino)benzonitrile
Systematic Name English
Benzonitrile, 4-[(4-chloro-2-pyrimidinyl)amino]-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90458374
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
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CAS
244768-32-9
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY
FDA UNII
48PGY9X6H8
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY
PUBCHEM
11195595
Created by admin on Wed Apr 02 20:21:35 GMT 2025 , Edited by admin on Wed Apr 02 20:21:35 GMT 2025
PRIMARY