8XF

6-(trifluoromethyl)pyrimidin-4-amine

Created:2021-10-01
Last modified:  2022-02-09

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Chemical Details

Formal Charge0
Atom Count15
Chiral Atom Count0
Bond Count15
Aromatic Bond Count6
2D diagram of 8XF

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Chemical Component Summary

Name6-(trifluoromethyl)pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)6-(trifluoromethyl)pyrimidin-4-amine
FormulaC5 H4 F3 N3
Molecular Weight163.101
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Nc1cc(ncn1)C(F)(F)F
SMILESCACTVS3.385Nc1cc(ncn1)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1c(ncnc1N)C(F)(F)F
Canonical SMILESCACTVS3.385 Nc1cc(ncn1)C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 c1c(ncnc1N)C(F)(F)F
InChIInChI1.03 InChI=1S/C5H4F3N3/c6-5(7,8)3-1-4(9)11-2-10-3/h1-2H,(H2,9,10,11)
InChIKeyInChI1.03 FIAIKJQZLXLGCR-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 22385756
ChEMBL CHEMBL3764475