1N6

2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one


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Chemical Component Summary

Name2-[(trans-4-aminocyclohexyl)amino]-4-{[3-(trifluoromethyl)phenyl]amino}pyrido[4,3-d]pyrimidin-5(6H)-one
Identifiers2-[(4-azanylcyclohexyl)amino]-4-[[3-(trifluoromethyl)phenyl]amino]-6H-pyrido[4,3-d]pyrimidin-5-one
FormulaC20 H21 F3 N6 O
Molecular Weight418.416
TypeNON-POLYMER
Isomeric SMILESc1cc(cc(c1)Nc2c3c(nc(n2)NC4CCC(CC4)N)C=CNC3=O)C(F)(F)F
InChIInChI=1S/C20H21F3N6O/c21-20(22,23)11-2-1-3-14(10-11)26-17-16-15(8-9-25-18(16)30)28-19(29-17)27-13-6-4-12(24)5-7-13/h1-3,8-10,12-13H,4-7,24H2,(H,25,30)(H2,26,27,28,29)/t12-,13-
InChIKeyVWACYUAZKMPNOH-JOCQHMNTSA-N

Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count0
Bond Count54
Aromatic Bond Count12