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KK3

Summary
Name:4-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
Formula:C17 H19 F3 N4
Formal charge:0
Formula weight:336.355 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine
OpenEye OEToolkits1.7.64-(4-methylpiperidin-1-yl)-6-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01FC(F)(F)c1ccc(cc1)c2nc(nc(c2)N3CCC(CC3)C)N
InChIInChI1.03InChI=1S/C17H19F3N4/c1-11-6-8-24(9-7-11)15-10-14(22-16(21)23-15)12-2-4-13(5-3-12)17(18,19)20/h2-5,10-11H,6-9H2,1H3,(H2,21,22,23)
InChIKeyInChI1.03YZEUYKXNCFTYAI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1CCN(CC1)c2cc(nc(N)n2)c3ccc(cc3)C(F)(F)F
SMILESCACTVS3.385CC1CCN(CC1)c2cc(nc(N)n2)c3ccc(cc3)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6CC1CCN(CC1)c2cc(nc(n2)N)c3ccc(cc3)C(F)(F)F

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PDB entries from 2024-07-24

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