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

Details

Stereochemistry ACHIRAL
Molecular Formula C16H14F3N7O3
Molecular Weight 409.3227
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-(1H-Imidazol-1-yl)-N-[2-(2-methoxyethoxy)-5-pyrimidinyl]-6-(trifluoromethyl)-4-pyrimidinecarboxamide

SMILES

COCCOC1=NC=C(NC(=O)C2=NC(=NC(=C2)C(F)(F)F)N3C=CN=C3)C=N1

InChI

InChIKey=HETNKTFSCIEHQT-UHFFFAOYSA-N
InChI=1S/C16H14F3N7O3/c1-28-4-5-29-15-21-7-10(8-22-15)23-13(27)11-6-12(16(17,18)19)25-14(24-11)26-3-2-20-9-26/h2-3,6-9H,4-5H2,1H3,(H,23,27)

HIDE SMILES / InChI

Molecular Formula C16H14F3N7O3
Molecular Weight 409.3227
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 20:56:46 GMT 2025
Edited
by admin
on Wed Apr 02 20:56:46 GMT 2025
Record UNII
8TE669PH9F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-(1H-Imidazol-1-yl)-N-[2-(2-methoxyethoxy)-5-pyrimidinyl]-6-(trifluoromethyl)-4-pyrimidinecarboxamide
Systematic Name English
CD38 inhibitor 3
Preferred Name English
4-Pyrimidinecarboxamide, 2-(1H-imidazol-1-yl)-N-[2-(2-methoxyethoxy)-5-pyrimidinyl]-6-(trifluoromethyl)-
Common Name English
Code System Code Type Description
PUBCHEM
168679856
Created by admin on Wed Apr 02 20:56:46 GMT 2025 , Edited by admin on Wed Apr 02 20:56:46 GMT 2025
PRIMARY
FDA UNII
8TE669PH9F
Created by admin on Wed Apr 02 20:56:46 GMT 2025 , Edited by admin on Wed Apr 02 20:56:46 GMT 2025
PRIMARY
CAS
2857868-82-5
Created by admin on Wed Apr 02 20:56:46 GMT 2025 , Edited by admin on Wed Apr 02 20:56:46 GMT 2025
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR