4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine

C101H73Cl5F12N30S11 — CID 159118707

About 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine

4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine (PubChem CID 159118707) has the molecular formula C101H73Cl5F12N30S11 and a molecular weight of 2464.88 g/mol. Its IUPAC name is 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine.

Molecular Properties

• Compound Name: 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine
• PubChem CID: 159118707
• Molecular Formula: C101H73Cl5F12N30S11
• Molecular Weight: 2464.88 g/mol
• Exact Mass: 2460.18
• IUPAC Name: 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine
• SMILES: Cc1cc(-c2nc(Sc3cc(Cl)nc(Sc4nc(-c5ccccc5)cs4)n3)n[nH]2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(Sc3cc(Cl)nc(Sc4ncccn4)n3)n[nH]2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2nc(Sc3cc(Cl)nc(SC4=NCCCN4)n3)n[nH]2)c1.Cc1ccc(Sc2nc(Cl)cc(Sc3n[nH]c(-c4cc(C)cc(C(F)(F)F)c4)n3)n2)cc1.Cc1ccc(Sc2nc(Cl)cc(Sc3n[nH]c(-c4cc(C)cc(C(F)(F)F)c4)n3)n2)cc1
• InChI: InChI=1S/C23H14ClF3N6S3.2C21H15ClF3N5S2.C18H11ClF3N7S2.C18H18ClN7S2/c1-12-7-14(9-15(8-12)23(25,26)27)19-31-21(33-32-19)35-18-10-17(24)29-20(30-18)36-22-28-16(11-34-22)13-5-3-2-4-6-13;2*1-11-3-5-15(6-4-11)31-19-26-16(22)10-17(27-19)32-20-28-18(29-30-20)13-7-12(2)8-14(9-13)21(23,24)25;1-9-5-10(7-11(6-9)18(20,21)22)14-27-17(29-28-14)30-13-8-12(19)25-16(26-13)31-15-23-3-2-4-24-15;1-10-6-11(2)8-12(7-10)15-24-18(26-25-15)27-14-9-13(19)22-17(23-14)28-16-20-4-3-5-21-16/h2-11H,1H3,(H,31,32,33);2*3-10H,1-2H3,(H,28,29,30);2-8H,1H3,(H,27,28,29);6-9H,3-5H2,1-2H3,(H,20,21)(H,24,25,26)
• InChIKey: KFKKHNHXSJOUFE-UHFFFAOYSA-N
• XLogP: 30.83
• TPSA: 399.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 36
• Rotatable Bonds: 25
• Heavy Atoms: 159
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2464.88
LogP ≤ 5	30.83
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine?

The IUPAC name of 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine (CID 159118707) is 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine.

What is the SMILES notation for 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine?

The canonical SMILES for 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine is Cc1cc(-c2nc(Sc3cc(Cl)nc(Sc4nc(-c5ccccc5)cs4)n3)n[nH]2)cc(C(F)(F)F)c1.Cc1cc(-c2nc(Sc3cc(Cl)nc(Sc4ncccn4)n3)n[nH]2)cc(C(F)(F)F)c1.Cc1cc(C)cc(-c2nc(Sc3cc(Cl)nc(SC4=NCCCN4)n3)n[nH]2)c1.Cc1ccc(Sc2nc(Cl)cc(Sc3n[nH]c(-c4cc(C)cc(C(F)(F)F)c4)n3)n2)cc1.Cc1ccc(Sc2nc(Cl)cc(Sc3n[nH]c(-c4cc(C)cc(C(F)(F)F)c4)n3)n2)cc1.

What is the InChIKey of 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine?

The InChIKey is KFKKHNHXSJOUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClF3N6S3.2C21H15ClF3N5S2.C18H11ClF3N7S2.C18H18ClN7S2/c1-12-7-14(9-15(8-12)23(25,26)27)19-31-21(33-32-19)35-18-10-17(24)29-20(30-18)36-22-28-16(11-34-22)13-5-3-2-4-6-13;2*1-11-3-5-15(6-4-11)31-19-26-16(22)10-17(27-19)32-20-28-18(29-30-20)13-7-12(2)8-14(9-13)21(23,24)25;1-9-5-10(7-11(6-9)18(20,21)22)14-27-17(29-28-14)30-13-8-12(19)25-16(26-13)31-15-23-3-2-4-24-15;1-10-6-11(2)8-12(7-10)15-24-18(26-25-15)27-14-9-13(19)22-17(23-14)28-16-20-4-3-5-21-16/h2-11H,1H3,(H,31,32,33);2*3-10H,1-2H3,(H,28,29,30);2-8H,1H3,(H,27,28,29);6-9H,3-5H2,1-2H3,(H,20,21)(H,24,25,26).

What are the key properties of 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine?

4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine has a molecular weight of 2464.88 g/mol, XLogP of 30.83, 25 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-6-[[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-2-(1,4,5,6-tetrahydropyrimidin-2-ylsulfanyl)pyrimidine;bis(4-chloro-2-(4-methylphenyl)sulfanyl-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidine);2-[4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]pyrimidin-2-yl]sulfanyl-4-phenyl-1,3-thiazole;4-chloro-6-[[5-[3-methyl-5-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-yl]sulfanyl]-2-pyrimidin-2-ylsulfanylpyrimidine is sourced from PubChem (CID 159118707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).