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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H12ClN3O
Molecular Weight 249.696
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-AMINO-5-(4-CHLOROPHENYL)-6-ETHYL-1H-PYRIMIDIN-4-ONE

SMILES

CCC1=C(C(=O)N=C(N)N1)C2=CC=C(Cl)C=C2

InChI

InChIKey=KTEOTBKBKDEYDF-UHFFFAOYSA-N
InChI=1S/C12H12ClN3O/c1-2-9-10(11(17)16-12(14)15-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H3,14,15,16,17)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
2-AMINO-5-(4-CHLOROPHENYL)-6-ETHYL-1H-PYRIMIDIN-4-ONE
Systematic Name English
2-AMINO-5-(4-CHLOROPHENYL)-6-ETHYLPYRIMIDIN-4-OL
Systematic Name English
4-PYRIMIDINOL, 2-AMINO-5-(P-CHLOROPHENYL)-6-ETHYL-
Systematic Name English
4(3H)-PYRIMIDINONE, 2-AMINO-5-(4-CHLOROPHENYL)-6-ETHYL-
Systematic Name English
Code System Code Type Description
PUBCHEM
135407971
Created by admin on Sat Dec 16 18:32:59 GMT 2023 , Edited by admin on Sat Dec 16 18:32:59 GMT 2023
PRIMARY PUBCHEM
CAS
91396-20-2
Created by admin on Sat Dec 16 18:32:59 GMT 2023 , Edited by admin on Sat Dec 16 18:32:59 GMT 2023
PRIMARY
FDA UNII
4A34EN6J6H
Created by admin on Sat Dec 16 18:32:59 GMT 2023 , Edited by admin on Sat Dec 16 18:32:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID40474443
Created by admin on Sat Dec 16 18:32:59 GMT 2023 , Edited by admin on Sat Dec 16 18:32:59 GMT 2023
PRIMARY
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966