N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]-5-pyridin-4-yl-pyrimidin-2-amine

Systemtic Name: N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]-5-pyridin-4-yl-pyrimidin-2-amine Openeye Name: N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]-5-(4-pyridyl)pyrimidin-2-amine CAS Name: N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]-5-pyridin-4-yl-2-pyrimidinamine IUPAC Name: N-[[4-[3-(dimethylamino)prop-1-ynyl]cyclohexyl]methyl]-5-pyridin-4-ylpyrimidin-2-amine Traditional Name: dimethyl-[3-[4-[[[5-(4-pyridyl)pyrimidin-2-yl]amino]methyl]cyclohexyl]prop-2-ynyl]amine Formula: C21H27N5 MolecularWeight: 349.47258

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC#CC1CCC(CC1)CNC2=NC=C(C=N2)C3=CC=NC=C3

Isomeric SMILES

CN(C)CC#CC1CCC(CC1)CNC2=NC=C(C=N2)C3=CC=NC=C3

InChI

InChI=1S/C21H27N5/c1-26(2)13-3-4-17-5-7-18(8-6-17)14-23-21-24-15-20(16-25-21)19-9-11-22-12-10-19/h9-12,15-18H,5-8,13-14H2,1-2H3,(H,23,24,25)