6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine

Systemtic Name: 6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine Openeye Name: 6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine CAS Name: 6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine IUPAC Name: 6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-6-methyl-5-[3-methyl-3-[4-(trifluoromethyl)phenyl]but-1-ynyl]pyrimidin-4-yl]amine Formula: C17H17F3N4 MolecularWeight: 334.33889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)N)N)C#CC(C)(C)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C(=NC(=N1)N)N)C#CC(C)(C)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C17H17F3N4/c1-10-13(14(21)24-15(22)23-10)8-9-16(2,3)11-4-6-12(7-5-11)17(18,19)20/h4-7H,1-3H3,(H4,21,22,23,24)