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L7I

Summary
Name:5-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine
Formula:C14 H15 F N4 O2 S
Formal charge:0
Formula weight:322.358 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.015-(4-fluorophenyl)-4-[1-(methanesulfonyl)azetidin-3-yl]pyrimidin-2-amine
OpenEye OEToolkits2.0.75-(4-fluorophenyl)-4-(1-methylsulfonylazetidin-3-yl)pyrimidin-2-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=S(C)(=O)N1CC(C1)c1nc(N)ncc1c1ccc(F)cc1
InChIInChI1.03InChI=1S/C14H15FN4O2S/c1-22(20,21)19-7-10(8-19)13-12(6-17-14(16)18-13)9-2-4-11(15)5-3-9/h2-6,10H,7-8H2,1H3,(H2,16,17,18)
InChIKeyInChI1.03TXIPIRKCLIOFPK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3ccc(F)cc3
SMILESCACTVS3.385C[S](=O)(=O)N1CC(C1)c2nc(N)ncc2c3ccc(F)cc3
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(cc3)F
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)N1CC(C1)c2c(cnc(n2)N)c3ccc(cc3)F

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PDB entries from 2024-07-10

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