bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)

C91H75Cl9F10N24O8S8 — CID 159197319

About bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)

bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one) (PubChem CID 159197319) has the molecular formula C91H75Cl9F10N24O8S8 and a molecular weight of 2398.35 g/mol. Its IUPAC name is bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one).

Molecular Properties

• Compound Name: bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)
• PubChem CID: 159197319
• Molecular Formula: C91H75Cl9F10N24O8S8
• Molecular Weight: 2398.35 g/mol
• Exact Mass: 2392.10
• IUPAC Name: bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)
• SMILES: Cc1cc(=O)[nH]c(SC(F)(F)c2c(Cl)cncc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(C)cncc2F)n1.Cc1cc(=O)[nH]c(SCc2c(C)cncc2F)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cnc(F)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cncc2C(F)(F)F)n1.Cc1cc(=O)[nH]c(SCc2c(F)cncc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(F)cncc2Cl)n1.Cc1cnc(SCc2c(Cl)cncc2Cl)[nH]c1=O
• InChI: InChI=1S/C12H9ClF3N3OS.2C12H12FN3OS.C11H7Cl2F2N3OS.C11H8Cl2FN3OS.C11H9Cl2N3OS.2C11H9ClFN3OS/c1-6-2-10(20)19-11(18-6)21-5-7-8(12(14,15)16)3-17-4-9(7)13;2*1-7-4-14-5-10(13)9(7)6-18-12-15-8(2)3-11(17)16-12;1-5-2-8(19)18-10(17-5)20-11(14,15)9-6(12)3-16-4-7(9)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;2*1-6-2-10(17)16-11(15-6)18-5-7-8(12)3-14-4-9(7)13/h2-4H,5H2,1H3,(H,18,19,20);2*3-5H,6H2,1-2H3,(H,15,16,17);2-4H,1H3,(H,17,18,19);2-3H,4H2,1H3,(H,16,17,18);3*2-4H,5H2,1H3,(H,15,16,17)
• InChIKey: KOVFKZWWJCTIQS-UHFFFAOYSA-N
• XLogP: 22.89
• TPSA: 469.12 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 32
• Rotatable Bonds: 24
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2398.35
LogP ≤ 5	22.89
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)?

The IUPAC name of bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one) (CID 159197319) is bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one).

What is the SMILES notation for bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)?

The canonical SMILES for bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one) is Cc1cc(=O)[nH]c(SC(F)(F)c2c(Cl)cncc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(C)cncc2F)n1.Cc1cc(=O)[nH]c(SCc2c(C)cncc2F)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cnc(F)c2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(Cl)cncc2C(F)(F)F)n1.Cc1cc(=O)[nH]c(SCc2c(F)cncc2Cl)n1.Cc1cc(=O)[nH]c(SCc2c(F)cncc2Cl)n1.Cc1cnc(SCc2c(Cl)cncc2Cl)[nH]c1=O.

What is the InChIKey of bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)?

The InChIKey is KOVFKZWWJCTIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClF3N3OS.2C12H12FN3OS.C11H7Cl2F2N3OS.C11H8Cl2FN3OS.C11H9Cl2N3OS.2C11H9ClFN3OS/c1-6-2-10(20)19-11(18-6)21-5-7-8(12(14,15)16)3-17-4-9(7)13;2*1-7-4-14-5-10(13)9(7)6-18-12-15-8(2)3-11(17)16-12;1-5-2-8(19)18-10(17-5)20-11(14,15)9-6(12)3-16-4-7(9)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;2*1-6-2-10(17)16-11(15-6)18-5-7-8(12)3-14-4-9(7)13/h2-4H,5H2,1H3,(H,18,19,20);2*3-5H,6H2,1-2H3,(H,15,16,17);2-4H,1H3,(H,17,18,19);2-3H,4H2,1H3,(H,16,17,18);3*2-4H,5H2,1H3,(H,15,16,17).

What are the key properties of bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one)?

bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one) has a molecular weight of 2398.35 g/mol, XLogP of 22.89, 24 rotatable bonds, 8 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-[(3-chloro-5-fluoro-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one);2-[[3-chloro-5-(trifluoromethyl)-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;bis(2-[(3-fluoro-5-methyl-4-pyridinyl)methylsulfanyl]-4-methyl-1H-pyrimidin-6-one) is sourced from PubChem (CID 159197319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).