N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine

C52H46BCl3F6N10O6S2 — CID 160760729

About N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine

N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine (PubChem CID 160760729) has the molecular formula C52H46BCl3F6N10O6S2 and a molecular weight of 1202.30 g/mol. Its IUPAC name is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine.

Molecular Properties

• Compound Name: N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine
• PubChem CID: 160760729
• Molecular Formula: C52H46BCl3F6N10O6S2
• Molecular Weight: 1202.30 g/mol
• Exact Mass: 1200.21
• IUPAC Name: N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine
• SMILES: Cc1c(B2OC(C)(C)C(C)(C)O2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)c(F)cn2)n1.Cc1nccc(Nc2cc(Cl)c(F)cn2)n1
• InChI: InChI=1S/C23H17ClF3N5O2S.C19H21BClF2NO4S.C10H8ClFN4/c1-12-16(15-8-22(29-10-19(15)27)32-21-5-6-28-13(2)31-21)9-30-23(24)17(12)11-35(33,34)20-4-3-14(25)7-18(20)26;1-11-13(10-29(25,26)16-7-6-12(22)8-15(16)23)17(21)24-9-14(11)20-27-18(2,3)19(4,5)28-20;1-6-13-3-2-9(15-6)16-10-4-7(11)8(12)5-14-10/h3-10H,11H2,1-2H3,(H,28,29,31,32);6-9H,10H2,1-5H3;2-5H,1H3,(H,13,14,15,16)
• InChIKey: RYAKAHFJFFIKIE-UHFFFAOYSA-N
• XLogP: 11.65
• TPSA: 213.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1202.30
LogP ≤ 5	11.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?

The IUPAC name of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine (CID 160760729) is N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine.

What is the SMILES notation for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?

The canonical SMILES for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine is Cc1c(B2OC(C)(C)C(C)(C)O2)cnc(Cl)c1CS(=O)(=O)c1ccc(F)cc1F.Cc1nccc(Nc2cc(-c3cnc(Cl)c(CS(=O)(=O)c4ccc(F)cc4F)c3C)c(F)cn2)n1.Cc1nccc(Nc2cc(Cl)c(F)cn2)n1.

What is the InChIKey of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?

The InChIKey is RYAKAHFJFFIKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF3N5O2S.C19H21BClF2NO4S.C10H8ClFN4/c1-12-16(15-8-22(29-10-19(15)27)32-21-5-6-28-13(2)31-21)9-30-23(24)17(12)11-35(33,34)20-4-3-14(25)7-18(20)26;1-11-13(10-29(25,26)16-7-6-12(22)8-15(16)23)17(21)24-9-14(11)20-27-18(2,3)19(4,5)28-20;1-6-13-3-2-9(15-6)16-10-4-7(11)8(12)5-14-10/h3-10H,11H2,1-2H3,(H,28,29,31,32);6-9H,10H2,1-5H3;2-5H,1H3,(H,13,14,15,16).

What are the key properties of N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine?

N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine has a molecular weight of 1202.30 g/mol, XLogP of 11.65, 12 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[6-chloro-5-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-3-pyridinyl]-5-fluoro-2-pyridinyl]-2-methylpyrimidin-4-amine;2-chloro-3-[(2,4-difluorophenyl)sulfonylmethyl]-4-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine;N-(4-chloro-5-fluoro-2-pyridinyl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 160760729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).