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

Details

Stereochemistry RACEMIC
Molecular Formula C18H12ClF4N3O
Molecular Weight 397.754
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Chloro-6-[2,2,2-trifluoro-1-(3?-fluorobiphenyl-4-yl)ethoxy]pyrimidin-2-amine

SMILES

NC1=NC(OC(C2=CC=C(C=C2)C3=CC(F)=CC=C3)C(F)(F)F)=CC(Cl)=N1

InChI

InChIKey=PQVUOKKRKFNGNS-UHFFFAOYSA-N
InChI=1S/C18H12ClF4N3O/c19-14-9-15(26-17(24)25-14)27-16(18(21,22)23)11-6-4-10(5-7-11)12-2-1-3-13(20)8-12/h1-9,16H,(H2,24,25,26)

HIDE SMILES / InChI

Molecular Formula C18H12ClF4N3O
Molecular Weight 397.754
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 06:26:49 GMT 2025
Edited
by admin
on Wed Apr 02 06:26:49 GMT 2025
Record UNII
A2T9KFN6Z5
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Pyrimidinamine, 4-chloro-6-[2,2,2-trifluoro-1-(3?-fluoro[1,1?-biphenyl]-4-yl)ethoxy]-
Preferred Name English
4-Chloro-6-[2,2,2-trifluoro-1-(3?-fluorobiphenyl-4-yl)ethoxy]pyrimidin-2-amine
Systematic Name English
4-Chloro-6-[2,2,2-trifluoro-1-(3'-fluoro[1,1'-biphenyl]-4-yl)ethoxy]-2-pyrimidinamine
Systematic Name English
Code System Code Type Description
CAS
945978-64-3
Created by admin on Wed Apr 02 06:26:49 GMT 2025 , Edited by admin on Wed Apr 02 06:26:49 GMT 2025
PRIMARY
FDA UNII
A2T9KFN6Z5
Created by admin on Wed Apr 02 06:26:49 GMT 2025 , Edited by admin on Wed Apr 02 06:26:49 GMT 2025
PRIMARY
PUBCHEM
58516149
Created by admin on Wed Apr 02 06:26:49 GMT 2025 , Edited by admin on Wed Apr 02 06:26:49 GMT 2025
PRIMARY