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

Details

Stereochemistry ACHIRAL
Molecular Formula C6H7FN2
Molecular Weight 126.1316
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-ETHYL-5-FLUOROPYRIMIDINE

SMILES

CCC1=C(F)C=NC=N1

InChI

InChIKey=AYZDRTRWCASUFO-UHFFFAOYSA-N
InChI=1S/C6H7FN2/c1-2-6-5(7)3-8-4-9-6/h3-4H,2H2,1H3

HIDE SMILES / InChI

Molecular Formula C6H7FN2
Molecular Weight 126.1316
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Thu Jul 06 14:45:31 UTC 2023
Edited
by admin
on Thu Jul 06 14:45:31 UTC 2023
Record UNII
RT448KF49C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-ETHYL-5-FLUOROPYRIMIDINE
Systematic Name English
VORICONAZOLE IMPURITY C [EP IMPURITY]
Common Name English
PYRIMIDINE, 4-ETHYL-5-FLUORO-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID20160115
Created by admin on Thu Jul 06 14:45:31 UTC 2023 , Edited by admin on Thu Jul 06 14:45:31 UTC 2023
PRIMARY
CAS
137234-88-9
Created by admin on Thu Jul 06 14:45:31 UTC 2023 , Edited by admin on Thu Jul 06 14:45:31 UTC 2023
PRIMARY
FDA UNII
RT448KF49C
Created by admin on Thu Jul 06 14:45:31 UTC 2023 , Edited by admin on Thu Jul 06 14:45:31 UTC 2023
PRIMARY
PUBCHEM
19074919
Created by admin on Thu Jul 06 14:45:31 UTC 2023 , Edited by admin on Thu Jul 06 14:45:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
For the calculation of contents, multiply the peak areas by 0.7
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP