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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H13ClF6N6
Molecular Weight 414.737
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 6-(6-Chloro-2-pyridinyl)-N<SUP>2</SUP>,N<SUP>4</SUP>-bis[(1S)-2,2,2-trifluoro-1-methylethyl]-1,3,5-triazine-2,4-diamine

SMILES

C[C@H](NC1=NC(=NC(N[C@@H](C)C(F)(F)F)=N1)C2=CC=CC(Cl)=N2)C(F)(F)F

InChI

InChIKey=QCZAWDGAVJMPTA-BQBZGAKWSA-N
InChI=1S/C14H13ClF6N6/c1-6(13(16,17)18)22-11-25-10(8-4-3-5-9(15)24-8)26-12(27-11)23-7(2)14(19,20)21/h3-7H,1-2H3,(H2,22,23,25,26,27)/t6-,7-/m0/s1

HIDE SMILES / InChI

Molecular Formula C14H13ClF6N6
Molecular Weight 414.737
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Wed Apr 02 19:34:59 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:59 GMT 2025
Record UNII
6NF8FE5LCB
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
6-(6-Chloro-2-pyridinyl)-N<SUP>2</SUP>,N<SUP>4</SUP>-bis[(1S)-2,2,2-trifluoro-1-methylethyl]-1,3,5-triazine-2,4-diamine
Systematic Name English
1,3,5-Triazine-2,4-diamine, 6-(6-chloro-2-pyridinyl)-N<SUP>2</SUP>,N<SUP>4</SUP>-bis[(1S)-2,2,2-trifluoro-1-methylethyl]-
Preferred Name English
Code System Code Type Description
EPA CompTox
DTXSID001114373
Created by admin on Wed Apr 02 19:34:59 GMT 2025 , Edited by admin on Wed Apr 02 19:34:59 GMT 2025
PRIMARY
CAS
1644545-94-7
Created by admin on Wed Apr 02 19:34:59 GMT 2025 , Edited by admin on Wed Apr 02 19:34:59 GMT 2025
PRIMARY
FDA UNII
6NF8FE5LCB
Created by admin on Wed Apr 02 19:34:59 GMT 2025 , Edited by admin on Wed Apr 02 19:34:59 GMT 2025
PRIMARY
PUBCHEM
117817339
Created by admin on Wed Apr 02 19:34:59 GMT 2025 , Edited by admin on Wed Apr 02 19:34:59 GMT 2025
PRIMARY
Related Record Type Details
DIASTEREOISOMER -> DIASTEREOISOMER