About 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine
4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine (PubChem CID 157130296) has the molecular formula C133H110Cl3F39N42OS11
and a molecular weight of 3512.65 g/mol. Its IUPAC name is 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine.
Frequently Asked Questions
What is the IUPAC name of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine?
The IUPAC name of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine (CID 157130296) is 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine?
The canonical SMILES for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine is CSc1nc(NC2CC2)cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n1.CSc1nc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc(N(C)C)n1.CSc1nc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc(N2CCCCC2)n1.CSc1nc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc(N2CCOCC2)n1.Cc1cc(-c2nc(Sc3cc(Cl)nc(NCC(C)C)n3)n[nH]2)cc(C(F)(F)F)c1.Cc1ccccc1CNc1nc(Cl)cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n1.FC(F)(F)c1cc(-c2nc(Sc3cc(Cl)nc(NC4CCCC4)n3)n[nH]2)cc(C(F)(F)F)c1.
What is the InChIKey of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine?
The InChIKey is AIZJBRYTQXAZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClF6N6S.C20H18F6N6S2.C19H15ClF6N6S.C19H16F6N6OS2.C18H18ClF3N6S.C18H14F6N6S2.C17H14F6N6S2/c1-11-4-2-3-5-12(11)10-30-19-31-16(23)9-17(32-19)36-20-33-18(34-35-20)13-6-14(21(24,25)26)8-15(7-13)22(27,28)29;1-33-17-27-14(32-5-3-2-4-6-32)10-15(28-17)34-18-29-16(30-31-18)11-7-12(19(21,22)23)9-13(8-11)20(24,25)26;20-13-8-14(29-16(28-13)27-12-3-1-2-4-12)33-17-30-15(31-32-17)9-5-10(18(21,22)23)7-11(6-9)19(24,25)26;1-33-16-26-13(31-2-4-32-5-3-31)9-14(27-16)34-17-28-15(29-30-17)10-6-11(18(20,21)22)8-12(7-10)19(23,24)25;1-9(2)8-23-16-24-13(19)7-14(25-16)29-17-26-15(27-28-17)11-4-10(3)5-12(6-11)18(20,21)22;1-31-15-26-12(25-11-2-3-11)7-13(27-15)32-16-28-14(29-30-16)8-4-9(17(19,20)21)6-10(5-8)18(22,23)24;1-29(2)11-7-12(25-14(24-11)30-3)31-15-26-13(27-28-15)8-4-9(16(18,19)20)6-10(5-8)17(21,22)23/h2-9H,10H2,1H3,(H,30,31,32)(H,33,34,35);7-10H,2-6H2,1H3,(H,29,30,31);5-8,12H,1-4H2,(H,27,28,29)(H,30,31,32);6-9H,2-5H2,1H3,(H,28,29,30);4-7,9H,8H2,1-3H3,(H,23,24,25)(H,26,27,28);4-7,11H,2-3H2,1H3,(H,25,26,27)(H,28,29,30);4-7H,1-3H3,(H,26,27,28).
What are the key properties of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine?
4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine has a molecular weight of 3512.65 g/mol, XLogP of 41.10, 38 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-cyclopentylpyrimidin-2-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-N-[(2-methylphenyl)methyl]pyrimidin-2-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethyl-2-methylsulfanylpyrimidin-4-amine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-6-piperidin-1-ylpyrimidine;4-[6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidin-4-yl]morpholine;4-chloro-N-(2-methylpropyl)-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-amine is sourced from PubChem (CID 157130296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).