4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

C113H77Cl7F13N35O4S14 — CID 159826756

About 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine

4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (PubChem CID 159826756) has the molecular formula C113H77Cl7F13N35O4S14 and a molecular weight of 2933.18 g/mol. Its IUPAC name is 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.

Molecular Properties

• Compound Name: 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
• PubChem CID: 159826756
• Molecular Formula: C113H77Cl7F13N35O4S14
• Molecular Weight: 2933.18 g/mol
• Exact Mass: 2927.06
• IUPAC Name: 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine
• SMILES: COc1cc(OC)cc(-c2nc(Sc3cc(Cl)nc(SC)n3)n[nH]2)c1.COc1cc(OC)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)n1.FC(F)(F)c1cccc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Fc1cc(F)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1
• InChI: InChI=1S/C20H16ClN5O2S2.C19H11ClF3N5S2.C18H10ClF2N5S2.C15H14ClN5O2S2.2C14H9ClF3N5S2.C13H8ClF2N5S2/c1-27-13-8-12(9-14(10-13)28-2)18-24-20(26-25-18)30-17-11-16(21)22-19(23-17)29-15-6-4-3-5-7-15;20-14-10-15(25-17(24-14)29-13-7-2-1-3-8-13)30-18-26-16(27-28-18)11-5-4-6-12(9-11)19(21,22)23;19-14-9-15(23-17(22-14)27-13-4-2-1-3-5-13)28-18-24-16(25-26-18)10-6-11(20)8-12(21)7-10;1-22-9-4-8(5-10(6-9)23-2)13-19-15(21-20-13)25-12-7-11(16)17-14(18-12)24-3;1-24-12-19-9(15)6-10(20-12)25-13-21-11(22-23-13)7-2-4-8(5-3-7)14(16,17)18;1-24-12-19-9(15)6-10(20-12)25-13-21-11(22-23-13)7-3-2-4-8(5-7)14(16,17)18;1-22-12-17-9(14)5-10(18-12)23-13-19-11(20-21-13)6-2-7(15)4-8(16)3-6/h3-11H,1-2H3,(H,24,25,26);1-10H,(H,26,27,28);1-9H,(H,24,25,26);4-7H,1-3H3,(H,19,20,21);2*2-6H,1H3,(H,21,22,23);2-5H,1H3,(H,19,20,21)
• InChIKey: NMXYFZKNCMEWNY-UHFFFAOYSA-N
• XLogP: 34.45
• TPSA: 508.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 46
• Rotatable Bonds: 35
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2933.18
LogP ≤ 5	34.45
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	46

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

The IUPAC name of 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine (CID 159826756) is 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine.

What is the SMILES notation for 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

The canonical SMILES for 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is COc1cc(OC)cc(-c2nc(Sc3cc(Cl)nc(SC)n3)n[nH]2)c1.COc1cc(OC)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cc(F)cc(F)c3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3ccc(C(F)(F)F)cc3)n2)n1.CSc1nc(Cl)cc(Sc2n[nH]c(-c3cccc(C(F)(F)F)c3)n2)n1.FC(F)(F)c1cccc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.Fc1cc(F)cc(-c2nc(Sc3cc(Cl)nc(Sc4ccccc4)n3)n[nH]2)c1.

What is the InChIKey of 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

The InChIKey is NMXYFZKNCMEWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O2S2.C19H11ClF3N5S2.C18H10ClF2N5S2.C15H14ClN5O2S2.2C14H9ClF3N5S2.C13H8ClF2N5S2/c1-27-13-8-12(9-14(10-13)28-2)18-24-20(26-25-18)30-17-11-16(21)22-19(23-17)29-15-6-4-3-5-7-15;20-14-10-15(25-17(24-14)29-13-7-2-1-3-8-13)30-18-26-16(27-28-18)11-5-4-6-12(9-11)19(21,22)23;19-14-9-15(23-17(22-14)27-13-4-2-1-3-5-13)28-18-24-16(25-26-18)10-6-11(20)8-12(21)7-10;1-22-9-4-8(5-10(6-9)23-2)13-19-15(21-20-13)25-12-7-11(16)17-14(18-12)24-3;1-24-12-19-9(15)6-10(20-12)25-13-21-11(22-23-13)7-2-4-8(5-3-7)14(16,17)18;1-24-12-19-9(15)6-10(20-12)25-13-21-11(22-23-13)7-3-2-4-8(5-7)14(16,17)18;1-22-12-17-9(14)5-10(18-12)23-13-19-11(20-21-13)6-2-7(15)4-8(16)3-6/h3-11H,1-2H3,(H,24,25,26);1-10H,(H,26,27,28);1-9H,(H,24,25,26);4-7H,1-3H3,(H,19,20,21);2*2-6H,1H3,(H,21,22,23);2-5H,1H3,(H,19,20,21).

What are the key properties of 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine?

4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine has a molecular weight of 2933.18 g/mol, XLogP of 34.45, 35 rotatable bonds, 7 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-difluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-methylsulfanylpyrimidine;4-chloro-6-[[5-(3,5-dimethoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-phenylsulfanylpyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-methylsulfanyl-6-[[5-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine;4-chloro-2-phenylsulfanyl-6-[[5-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine is sourced from PubChem (CID 159826756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).