8VD

N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine

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

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count0
Bond Count31
Aromatic Bond Count6
2D diagram of 8VD

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Chemical Component Summary

NameN-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine
Systematic Name (OpenEye OEToolkits)~{N}-piperidin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
FormulaC10 H13 F3 N4
Molecular Weight246.232
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1cc(ncn1)NC1CCNCC1
SMILESCACTVS3.385FC(F)(F)c1cc(NC2CCNCC2)ncn1
SMILESOpenEye OEToolkits2.0.7c1c(ncnc1NC2CCNCC2)C(F)(F)F
Canonical SMILESCACTVS3.385 FC(F)(F)c1cc(NC2CCNCC2)ncn1
Canonical SMILESOpenEye OEToolkits2.0.7 c1c(ncnc1NC2CCNCC2)C(F)(F)F
InChIInChI1.03 InChI=1S/C10H13F3N4/c11-10(12,13)8-5-9(16-6-15-8)17-7-1-3-14-4-2-7/h5-7,14H,1-4H2,(H,15,16,17)
InChIKeyInChI1.03 GRSDOXXGQOHABE-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 86277306