5-(4-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-2,4-PYRIMIDINEDIAMINE

U.S. Department of Health & Human Services Divider Arrow

National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C11H8ClF3N4
Molecular Weight	288.656
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5-(4-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-2,4-PYRIMIDINEDIAMINE

Structure Search

SMILES

NC1=NC(N)=C(C2=CC=C(Cl)C=C2)C(=N1)C(F)(F)F

InChI

InChIKey=BOMKEFCBQZPVAF-UHFFFAOYSA-N

InChI=1S/C11H8ClF3N4/c12-6-3-1-5(2-4-6)7-8(11(13,14)15)18-10(17)19-9(7)16/h1-4H,(H4,16,17,18,19)

HIDE SMILES / InChI

Molecular Formula	C11H8ClF3N4
Molecular Weight	288.656
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 `Tue Apr 01 20:11:22 GMT 2025` Edited by `admin` on `Tue Apr 01 20:11:22 GMT 2025`
Record UNII	A8DQ3WA6BB
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

NSC-211804

Preferred Name

English

5-(4-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-2,4-PYRIMIDINEDIAMINE

Systematic Name

English

2,4-PYRIMIDINEDIAMINE, 5-(4-CHLOROPHENYL)-6-(TRIFLUOROMETHYL)-

Systematic Name

English

Code System Code Type Description

FDA UNII

A8DQ3WA6BB

Created by admin on Tue Apr 01 20:11:22 GMT 2025 , Edited by admin on Tue Apr 01 20:11:22 GMT 2025

PRIMARY

EPA CompTox

DTXSID60177166

Created by admin on Tue Apr 01 20:11:22 GMT 2025 , Edited by admin on Tue Apr 01 20:11:22 GMT 2025

PRIMARY

CAS

2263-96-9

Created by admin on Tue Apr 01 20:11:22 GMT 2025 , Edited by admin on Tue Apr 01 20:11:22 GMT 2025

PRIMARY

NSC

211804

Created by admin on Tue Apr 01 20:11:22 GMT 2025 , Edited by admin on Tue Apr 01 20:11:22 GMT 2025

PRIMARY

PUBCHEM

309512

Created by admin on Tue Apr 01 20:11:22 GMT 2025 , Edited by admin on Tue Apr 01 20:11:22 GMT 2025

PRIMARY