5-[(butan-2-ylamino)methyl]-N-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine

Systemtic Name: 5-[(butan-2-ylamino)methyl]-N-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine Openeye Name: N-(3-chlorophenyl)-5-[(sec-butylamino)methyl]-4-(trifluoromethyl)pyrimidin-2-amine CAS Name: 5-[(butan-2-ylamino)methyl]-N-(3-chlorophenyl)-4-(trifluoromethyl)-2-pyrimidinamine IUPAC Name: 5-[(butan-2-ylamino)methyl]-N-(3-chlorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine Traditional Name: [2-(3-chloroanilino)-4-(trifluoromethyl)pyrimidin-5-yl]methyl-sec-butyl-amine Formula: C16H18ClF3N4 MolecularWeight: 358.78913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

Isomeric SMILES

CCC(C)NCC1=CN=C(N=C1C(F)(F)F)NC2=CC(=CC=C2)Cl

InChI

InChI=1S/C16H18ClF3N4/c1-3-10(2)21-8-11-9-22-15(24-14(11)16(18,19)20)23-13-6-4-5-12(17)7-13/h4-7,9-10,21H,3,8H2,1-2H3,(H,22,23,24)