D65

2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine

Created: 2014-12-09
Last modified:  2021-03-01

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Chemical Details

Formal Charge0
Atom Count39
Chiral Atom Count0
Bond Count41
Aromatic Bond Count16
2D diagram of D65
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Chemical Component Summary

Name2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SynonymsDSM265
Systematic Name (OpenEye OEToolkits)2-[1,1-bis(fluoranyl)ethyl]-5-methyl-N-[4-[pentakis(fluoranyl)-$l^{6}-sulfanyl]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
FormulaC14 H12 F7 N5 S
Molecular Weight415.332
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01FS(F)(F)(F)(F)c1ccc(cc1)Nc2cc(nc3nc(nn23)C(F)(F)C)C
SMILESCACTVS3.385Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3nc(nc3n1)C(C)(F)F
SMILESOpenEye OEToolkits1.7.6Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F
Canonical SMILESCACTVS3.385 Cc1cc(Nc2ccc(cc2)[S](F)(F)(F)(F)F)n3nc(nc3n1)C(C)(F)F
Canonical SMILESOpenEye OEToolkits1.7.6 Cc1cc(n2c(n1)nc(n2)C(C)(F)F)Nc3ccc(cc3)S(F)(F)(F)(F)F
InChIInChI1.03 InChI=1S/C14H12F7N5S/c1-8-7-11(26-13(22-8)24-12(25-26)14(2,15)16)23-9-3-5-10(6-4-9)27(17,18,19,20)21/h3-7,23H,1-2H3
InChIKeyInChI1.03 OIZSVTOIBNSVOS-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB12397 
NameDSM-265
Groups investigational
DescriptionDSM265 has been used in trials studying the prevention and treatment of Malaria.
Synonyms
  • Sulfur, (4-((2-(1,1-difluoroethyl)-5-methyl(1,2,4)triazolo(1,5-a)pyrimidin-7-yl)amino)phenyl)pentafluoro-, (oc-6-21)-
  • 2-(1,1-Difluoroethyl)-5-methyl-N-[4-(pentafluoro-λ6-sulfanyl)phenyl][1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  • 2-(1,1-difluoroethyl)-5-methyl-N-[4-(pentafluoro-lambda6-sulfanyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
  • DSM-265
CAS number1282041-94-4

Related Resource References

Resource NameReference
Pharos CHEMBL1956285
PubChem 51347395
ChEMBL CHEMBL1956285