4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

C140H110Cl3F48N45S16 — CID 161044851

About 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine

4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (PubChem CID 161044851) has the molecular formula C140H110Cl3F48N45S16 and a molecular weight of 3954.07 g/mol. Its IUPAC name is 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.

Molecular Properties

• Compound Name: 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
• PubChem CID: 161044851
• Molecular Formula: C140H110Cl3F48N45S16
• Molecular Weight: 3954.07 g/mol
• Exact Mass: 3949.38
• IUPAC Name: 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine
• SMILES: CCNc1cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc(SC)n1.CCn1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1Sc1cc(Cl)nc(SC)n1.CNc1cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc(SC)n1.CSc1nc(Cl)cc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2C(C)C)n1.CSc1nc(Cl)cc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2CC2CC2)n1.CSc1nc(NC(C)C)cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n1.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
• InChI: InChI=1S/C19H14ClF6N5S2.C18H14ClF6N5S2.C18H14F6N6S2.C18H16F6N6S2.C17H12ClF6N5S2.2C17H14F6N6S2.C16H12F6N6S2/c1-32-16-27-13(20)7-14(28-16)33-17-29-15(30-31(17)8-9-2-3-9)10-4-11(18(21,22)23)6-12(5-10)19(24,25)26;1-8(2)30-16(32-13-7-12(19)26-15(27-13)31-3)28-14(29-30)9-4-10(17(20,21)22)6-11(5-9)18(23,24)25;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;1-8(2)25-12-7-13(27-15(26-12)31-3)32-16-28-14(29-30-16)9-4-10(17(19,20)21)6-11(5-9)18(22,23)24;1-3-29-15(31-12-7-11(18)25-14(26-12)30-2)27-13(28-29)8-4-9(16(19,20)21)6-10(5-8)17(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;1-3-24-11-7-12(26-14(25-11)30-2)31-15-27-13(28-29-15)8-4-9(16(18,19)20)6-10(5-8)17(21,22)23;1-23-10-6-11(25-13(24-10)29-2)30-14-26-12(27-28-14)7-3-8(15(17,18)19)5-9(4-7)16(20,21)22/h4-7,9H,2-3,8H2,1H3;4-8H,1-3H3;4-7,11H,2-3H2,1H3,(H,25,26,27)(H,28,29,30);4-8H,1-3H3,(H,25,26,27)(H,28,29,30);4-7H,3H2,1-2H3;4-7H,1-3H3,(H,26,27,28);4-7H,3H2,1-2H3,(H,24,25,26)(H,27,28,29);3-6H,1-2H3,(H,23,24,25)(H,26,27,28)
• InChIKey: UBJDYUQFQXQTMI-UHFFFAOYSA-N
• XLogP: 47.70
• TPSA: 557.58 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 56
• Rotatable Bonds: 44
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3954.07
LogP ≤ 5	47.70
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	56

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?

The IUPAC name of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine (CID 161044851) is 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine.

What is the SMILES notation for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?

The canonical SMILES for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is CCNc1cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc(SC)n1.CCn1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1Sc1cc(Cl)nc(SC)n1.CNc1cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)nc(SC)n1.CSc1nc(Cl)cc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2C(C)C)n1.CSc1nc(Cl)cc(Sc2nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)nn2CC2CC2)n1.CSc1nc(NC(C)C)cc(Sc2n[nH]c(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)n1.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.

What is the InChIKey of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?

The InChIKey is UBJDYUQFQXQTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF6N5S2.C18H14ClF6N5S2.C18H14F6N6S2.C18H16F6N6S2.C17H12ClF6N5S2.2C17H14F6N6S2.C16H12F6N6S2/c1-32-16-27-13(20)7-14(28-16)33-17-29-15(30-31(17)8-9-2-3-9)10-4-11(18(21,22)23)6-12(5-10)19(24,25)26;1-8(2)30-16(32-13-7-12(19)26-15(27-13)31-3)28-14(29-30)9-4-10(17(20,21)22)6-11(5-9)18(23,24)25;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;1-8(2)25-12-7-13(27-15(26-12)31-3)32-16-28-14(29-30-16)9-4-10(17(19,20)21)6-11(5-9)18(22,23)24;1-3-29-15(31-12-7-11(18)25-14(26-12)30-2)27-13(28-29)8-4-9(16(19,20)21)6-10(5-8)17(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;1-3-24-11-7-12(26-14(25-11)30-2)31-15-27-13(28-29-15)8-4-9(16(18,19)20)6-10(5-8)17(21,22)23;1-23-10-6-11(25-13(24-10)29-2)30-14-26-12(27-28-14)7-3-8(15(17,18)19)5-9(4-7)16(20,21)22/h4-7,9H,2-3,8H2,1H3;4-8H,1-3H3;4-7,11H,2-3H2,1H3,(H,25,26,27)(H,28,29,30);4-8H,1-3H3,(H,25,26,27)(H,28,29,30);4-7H,3H2,1-2H3;4-7H,1-3H3,(H,26,27,28);4-7H,3H2,1-2H3,(H,24,25,26)(H,27,28,29);3-6H,1-2H3,(H,23,24,25)(H,26,27,28).

What are the key properties of 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine?

4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine has a molecular weight of 3954.07 g/mol, XLogP of 47.70, 44 rotatable bonds, 9 hydrogen bond donors, and 56 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-(cyclopropylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-ethyl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;4-[[5-[3,5-bis(trifluoromethyl)phenyl]-2-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-6-chloro-2-methylsulfanylpyrimidine;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;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-N-methyl-2-methylsulfanylpyrimidin-4-amine;6-[[5-[3,5-bis(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanyl-N-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 161044851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).