N4-[(4-azanylcyclohexyl)methyl]-5-[2-(3-methylphenyl)ethynyl]-N2-[[2-(trifluoromethyloxy)phenyl]methyl]pyrimidine-2,4-diamine

Systemtic Name: N4-[(4-azanylcyclohexyl)methyl]-5-[2-(3-methylphenyl)ethynyl]-N2-[[2-(trifluoromethyloxy)phenyl]methyl]pyrimidine-2,4-diamine Openeye Name: N4-[(4-aminocyclohexyl)methyl]-5-[2-(m-tolyl)ethynyl]-N2-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine CAS Name: N4-[(4-aminocyclohexyl)methyl]-5-[2-(3-methylphenyl)ethynyl]-N2-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine IUPAC Name: 4-N-[(4-aminocyclohexyl)methyl]-5-[2-(3-methylphenyl)ethynyl]-2-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine Traditional Name: (4-aminocyclohexyl)methyl-[5-[2-(m-tolyl)ethynyl]-2-[[2-(trifluoromethoxy)benzyl]amino]pyrimidin-4-yl]amine Formula: C28H30F3N5O MolecularWeight: 509.56591

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C#CC2=CN=C(N=C2NCC3CCC(CC3)N)NCC4=CC=CC=C4OC(F)(F)F

Isomeric SMILES

CC1=CC=CC(=C1)C#CC2=CN=C(N=C2NCC3CCC(CC3)N)NCC4=CC=CC=C4OC(F)(F)F

InChI

InChI=1S/C28H30F3N5O/c1-19-5-4-6-20(15-19)9-12-23-18-35-27(36-26(23)33-16-21-10-13-24(32)14-11-21)34-17-22-7-2-3-8-25(22)37-28(29,30)31/h2-8,15,18,21,24H,10-11,13-14,16-17,32H2,1H3,(H2,33,34,35,36)