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W51

Summary
Name:6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
Formula:C11 H15 Cl N4
Formal charge:0
Formula weight:238.717 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine
OpenEye OEToolkits2.0.76-(2-azabicyclo[2.2.2]octan-2-yl)-5-chloranyl-pyrimidin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01C3C2CN(c1c(c(N)ncn1)Cl)C(CC2)C3
InChIInChI1.03InChI=1S/C11H15ClN4/c12-9-10(13)14-6-15-11(9)16-5-7-1-3-8(16)4-2-7/h6-8H,1-5H2,(H2,13,14,15)/t7-,8+
InChIKeyInChI1.03KOPSTLNXEGIBTP-OCAPTIKFSA-N
SMILES_CANONICALCACTVS3.385Nc1ncnc(N2CC3CCC2CC3)c1Cl
SMILESCACTVS3.385Nc1ncnc(N2CC3CCC2CC3)c1Cl
SMILES_CANONICALOpenEye OEToolkits2.0.7c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N
SMILESOpenEye OEToolkits2.0.7c1nc(c(c(n1)N2CC3CCC2CC3)Cl)N

217705

PDB entries from 2024-03-27

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