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NNF

Summary
Name:2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
Formula:C15 H17 F N4 O
Formal charge:0
Formula weight:288.32 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
OpenEye OEToolkits1.7.02-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Fc3ccc(N2CCN(C1=NC(=CC(=O)N1)C)CC2)cc3
SMILES_CANONICALCACTVS3.370CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3
SMILESCACTVS3.370CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits1.7.0CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F
SMILESOpenEye OEToolkits1.7.0CC1=CC(=O)NC(=N1)N2CCN(CC2)c3ccc(cc3)F
InChIInChI1.03InChI=1S/C15H17FN4O/c1-11-10-14(21)18-15(17-11)20-8-6-19(7-9-20)13-4-2-12(16)3-5-13/h2-5,10H,6-9H2,1H3,(H,17,18,21)
InChIKeyInChI1.03AGOINTKVGRVJJT-UHFFFAOYSA-N

246704

PDB entries from 2025-12-24

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