5-[[[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]amino]methyl]pyrimidin-2-amine

Systemtic Name: 5-[[[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]amino]methyl]pyrimidin-2-amine Openeye Name: 5-[[[1-[(4-isobutylphenyl)methyl]-3-piperidyl]amino]methyl]pyrimidin-2-amine CAS Name: 5-[[[1-[[4-(2-methylpropyl)phenyl]methyl]-3-piperidinyl]amino]methyl]-2-pyrimidinamine IUPAC Name: 5-[[[1-[[4-(2-methylpropyl)phenyl]methyl]piperidin-3-yl]amino]methyl]pyrimidin-2-amine Traditional Name: (2-aminopyrimidin-5-yl)methyl-[1-(4-isobutylbenzyl)-3-piperidyl]amine Formula: C21H31N5 MolecularWeight: 353.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CN2CCCC(C2)NCC3=CN=C(N=C3)N

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CN2CCCC(C2)NCC3=CN=C(N=C3)N

InChI

InChI=1S/C21H31N5/c1-16(2)10-17-5-7-18(8-6-17)14-26-9-3-4-20(15-26)23-11-19-12-24-21(22)25-13-19/h5-8,12-13,16,20,23H,3-4,9-11,14-15H2,1-2H3,(H2,22,24,25)