K1G

?

Summary

Name:N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
Formula:C10 H15 N5
Formal charge:0
Molecular weight:205.26 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
OpenEye OEToolkits2.0.6~{N},1-dimethyl-~{N}-propan-2-yl-pyrazolo[3,4-d]pyrimidin-4-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n1cnc2n(C)ncc2c1N(C)C(C)C
InChIInChI1.03InChI=1S/C10H15N5/c1-7(2)14(3)9-8-5-13-15(4)10(8)12-6-11-9/h5-7H,1-4H3
InChIKeyInChI1.03ACQZDWVVKAKBAO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)N(C)c1ncnc2n(C)ncc12
SMILESCACTVS3.385CC(C)N(C)c1ncnc2n(C)ncc12
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)N(C)c1c2cnn(c2ncn1)C
SMILESOpenEye OEToolkits2.0.6CC(C)N(C)c1c2cnn(c2ncn1)C
170172
PDB entries from 2020-10-21