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CJ9

Summary
Name:N4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine
Formula:C12 H19 N5
Formal charge:0
Formula weight:233.313 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.6~{N}4-cyclopropyl-6-piperidin-1-yl-pyrimidine-2,4-diamine

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C12H19N5/c13-12-15-10(14-9-4-5-9)8-11(16-12)17-6-2-1-3-7-17/h8-9H,1-7H2,(H3,13,14,15,16)
InChIKeyInChI1.03KEJKDPAZBYTTRQ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Nc1nc(NC2CC2)cc(n1)N3CCCCC3
SMILESCACTVS3.385Nc1nc(NC2CC2)cc(n1)N3CCCCC3
SMILES_CANONICALOpenEye OEToolkits2.0.6c1c(nc(nc1N2CCCCC2)N)NC3CC3
SMILESOpenEye OEToolkits2.0.6c1c(nc(nc1N2CCCCC2)N)NC3CC3

221371

PDB entries from 2024-06-19

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