2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

C77H55Cl11F11N21O7S7 — CID 159827620

About 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one

2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (PubChem CID 159827620) has the molecular formula C77H55Cl11F11N21O7S7 and a molecular weight of 2209.86 g/mol. Its IUPAC name is 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.

Molecular Properties

• Compound Name: 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
• PubChem CID: 159827620
• Molecular Formula: C77H55Cl11F11N21O7S7
• Molecular Weight: 2209.86 g/mol
• Exact Mass: 2202.90
• IUPAC Name: 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one
• SMILES: Cc1cc(=O)[nH]c(SC(F)(F)c2c(Cl)cncc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)c(F)nc(F)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cnc(Cl)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cnc(F)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(F)c(F)nc(F)c2F)n1.Cc1cc(=O)[nH]c(SCc2c(F)cncc2F)n1.Cc1cnc(SCc2c(Cl)cncc2Cl)[nH]c1=O
• InChI: InChI=1S/C11H8Cl3N3OS.2C11H7Cl2F2N3OS.C11H8Cl2FN3OS.C11H9Cl2N3OS.C11H7F4N3OS.C11H9F2N3OS/c1-5-2-8(18)17-11(16-5)19-4-6-7(12)3-15-10(14)9(6)13;1-5-2-8(19)18-10(17-5)20-11(14,15)9-6(12)3-16-4-7(9)13;1-4-2-6(19)17-11(16-4)20-3-5-7(12)9(14)18-10(15)8(5)13;1-5-2-8(18)17-11(16-5)19-4-6-7(12)3-15-10(14)9(6)13;1-6-2-15-11(16-10(6)17)18-5-7-8(12)3-14-4-9(7)13;1-4-2-6(19)17-11(16-4)20-3-5-7(12)9(14)18-10(15)8(5)13;1-6-2-10(17)16-11(15-6)18-5-7-8(12)3-14-4-9(7)13/h2-3H,4H2,1H3,(H,16,17,18);2-4H,1H3,(H,17,18,19);2H,3H2,1H3,(H,16,17,19);2-3H,4H2,1H3,(H,16,17,18);2-4H,5H2,1H3,(H,15,16,17);2H,3H2,1H3,(H,16,17,19);2-4H,5H2,1H3,(H,15,16,17)
• InChIKey: NNAVPKGPUAVTIA-UHFFFAOYSA-N
• XLogP: 21.35
• TPSA: 410.48 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 28
• Rotatable Bonds: 21
• Heavy Atoms: 134
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2209.86
LogP ≤ 5	21.35
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

The IUPAC name of 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one (CID 159827620) is 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one.

What is the SMILES notation for 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

The canonical SMILES for 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(SC(F)(F)c2c(Cl)cncc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)c(F)nc(F)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cnc(Cl)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cnc(F)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(F)c(F)nc(F)c2F)n1.Cc1cc(=O)[nH]c(SCc2c(F)cncc2F)n1.Cc1cnc(SCc2c(Cl)cncc2Cl)[nH]c1=O.

What is the InChIKey of 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

The InChIKey is NNAVPKGPUAVTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl3N3OS.2C11H7Cl2F2N3OS.C11H8Cl2FN3OS.C11H9Cl2N3OS.C11H7F4N3OS.C11H9F2N3OS/c1-5-2-8(18)17-11(16-5)19-4-6-7(12)3-15-10(14)9(6)13;1-5-2-8(19)18-10(17-5)20-11(14,15)9-6(12)3-16-4-7(9)13;1-4-2-6(19)17-11(16-4)20-3-5-7(12)9(14)18-10(15)8(5)13;1-5-2-8(18)17-11(16-5)19-4-6-7(12)3-15-10(14)9(6)13;1-6-2-15-11(16-10(6)17)18-5-7-8(12)3-14-4-9(7)13;1-4-2-6(19)17-11(16-4)20-3-5-7(12)9(14)18-10(15)8(5)13;1-6-2-10(17)16-11(15-6)18-5-7-8(12)3-14-4-9(7)13/h2-3H,4H2,1H3,(H,16,17,18);2-4H,1H3,(H,17,18,19);2H,3H2,1H3,(H,16,17,19);2-3H,4H2,1H3,(H,16,17,18);2-4H,5H2,1H3,(H,15,16,17);2H,3H2,1H3,(H,16,17,19);2-4H,5H2,1H3,(H,15,16,17).

What are the key properties of 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one?

2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one has a molecular weight of 2209.86 g/mol, XLogP of 21.35, 21 rotatable bonds, 7 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(3,5-dichloro-2,6-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-2-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)-difluoromethyl]sulfanyl-4-methyl-1H-pyrimidin-6-one;2-[(3,5-dichloro-4-pyridinyl)methylsulfanyl]-5-methyl-1H-pyrimidin-6-one;2-[(3,5-difluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5,6-tetrafluoro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one;4-methyl-2-[(2,3,5-trichloro-4-pyridinyl)methylsulfanyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 159827620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).