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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H16FN5
Molecular Weight 309.3408
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(1-(CYCLOPROPYLMETHYL)-4-(4-FLUOROPHENYL)-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-AMINE

SMILES

NC1=NC=CC(=N1)C2=C(N=CN2CC3CC3)C4=CC=C(F)C=C4

InChI

InChIKey=DFEYXQGDDCDXJK-UHFFFAOYSA-N
InChI=1S/C17H16FN5/c18-13-5-3-12(4-6-13)15-16(14-7-8-20-17(19)22-14)23(10-21-15)9-11-1-2-11/h3-8,10-11H,1-2,9H2,(H2,19,20,22)

HIDE SMILES / InChI

Approval Year

Name Type Language
4-(1-(CYCLOPROPYLMETHYL)-4-(4-FLUOROPHENYL)-1H-IMIDAZOL-5-YL)PYRIMIDIN-2-AMINE
Systematic Name English
SB-218655
Preferred Name English
4-(FLUOROPHENYL)-1-CYCLOPROPYLMETHYL-5-(2-AMINO-4-PYRIMIDINYL)IMIDAZOLE
Systematic Name English
4-(3-(CYCLOPROPYLMETHYL)-5-(4-FLUOROPHENYL)IMIDAZOL-4-YL)PYRIMIDIN-2-AMINE
Systematic Name English
2-PYRIMIDINAMINE, 4-(1-(CYCLOPROPYLMETHYL)-4-(4-FLUOROPHENYL)-1H-IMIDAZOL-5-YL)-
Systematic Name English
Code System Code Type Description
CAS
165806-51-9
Created by admin on Tue Apr 01 16:36:40 GMT 2025 , Edited by admin on Tue Apr 01 16:36:40 GMT 2025
PRIMARY
FDA UNII
R37TCQ1HFT
Created by admin on Tue Apr 01 16:36:40 GMT 2025 , Edited by admin on Tue Apr 01 16:36:40 GMT 2025
PRIMARY
EPA CompTox
DTXSID50274456
Created by admin on Tue Apr 01 16:36:40 GMT 2025 , Edited by admin on Tue Apr 01 16:36:40 GMT 2025
PRIMARY
DRUG BANK
DB03980
Created by admin on Tue Apr 01 16:36:40 GMT 2025 , Edited by admin on Tue Apr 01 16:36:40 GMT 2025
PRIMARY
PUBCHEM
5172
Created by admin on Tue Apr 01 16:36:40 GMT 2025 , Edited by admin on Tue Apr 01 16:36:40 GMT 2025
PRIMARY