6IO

~{N}1,~{N}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine

Created:2021-08-02
Last modified:  2021-11-17

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Chemical Details

Formal Charge0
Atom Count44
Chiral Atom Count0
Bond Count46
Aromatic Bond Count12
2D diagram of 6IO

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Chemical Component Summary

Name~{N}1,~{N}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
Systematic Name (OpenEye OEToolkits)~{N}1,~{N}4-bis[2-(trifluoromethyl)pyrimidin-4-yl]cyclohexane-1,4-diamine
FormulaC16 H16 F6 N6
Molecular Weight406.329
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESCACTVS3.385FC(F)(F)c1nccc(N[CH]2CC[CH](CC2)Nc3ccnc(n3)C(F)(F)F)n1
SMILESOpenEye OEToolkits2.0.7c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F
Canonical SMILESCACTVS3.385 FC(F)(F)c1nccc(N[C@@H]2CC[C@@H](CC2)Nc3ccnc(n3)C(F)(F)F)n1
Canonical SMILESOpenEye OEToolkits2.0.7 c1cnc(nc1NC2CCC(CC2)Nc3ccnc(n3)C(F)(F)F)C(F)(F)F
InChIInChI1.03 InChI=1S/C16H16F6N6/c17-15(18,19)13-23-7-5-11(27-13)25-9-1-2-10(4-3-9)26-12-6-8-24-14(28-12)16(20,21)22/h5-10H,1-4H2,(H,23,25,27)(H,24,26,28)/t9-,10+
InChIKeyInChI1.03 AWHJAHLJFNFTGF-AOOOYVTPSA-N