6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

C52H53Cl3FN19O10S2 — CID 157179711

About 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 157179711) has the molecular formula C52H53Cl3FN19O10S2 and a molecular weight of 1293.61 g/mol. Its IUPAC name is 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

• Compound Name: 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
• PubChem CID: 157179711
• Molecular Formula: C52H53Cl3FN19O10S2
• Molecular Weight: 1293.61 g/mol
• Exact Mass: 1291.27
• IUPAC Name: 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
• SMILES: CN1C(=O)COc2ccc(N)nc21.CN1C(=O)COc2ccc(Nc3nc(Cl)ncc3F)nc21.Cc1ccc(N)nc1S(N)(=O)=O.Cc1ccc(Nc2ncc(C)c(Nc3ccc4c(c3)N(C)C(=O)CO4)n2)cc1S(N)(=O)=O.Cc1cnc(Cl)nc1Cl
• InChI: InChI=1S/C21H22N6O4S.C12H9ClFN5O2.C8H9N3O2.C6H9N3O2S.C5H4Cl2N2/c1-12-4-5-15(9-18(12)32(22,29)30)25-21-23-10-13(2)20(26-21)24-14-6-7-17-16(8-14)27(3)19(28)11-31-17;1-19-9(20)5-21-7-2-3-8(17-11(7)19)16-10-6(14)4-15-12(13)18-10;1-11-7(12)4-13-5-2-3-6(9)10-8(5)11;1-4-2-3-5(7)9-6(4)12(8,10)11;1-3-2-8-5(7)9-4(3)6/h4-10H,11H2,1-3H3,(H2,22,29,30)(H2,23,24,25,26);2-4H,5H2,1H3,(H,15,16,17,18);2-3H,4H2,1H3,(H2,9,10);2-3H,1H3,(H2,7,9)(H2,8,10,11);2H,1H3
• InChIKey: AOKTYRGRZAGXLS-UHFFFAOYSA-N
• XLogP: 6.08
• TPSA: 413.08 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 24
• Rotatable Bonds: 8
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1293.61
LogP ≤ 5	6.08
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?

The IUPAC name of 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide (CID 157179711) is 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide.

What is the SMILES notation for 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?

The canonical SMILES for 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is CN1C(=O)COc2ccc(N)nc21.CN1C(=O)COc2ccc(Nc3nc(Cl)ncc3F)nc21.Cc1ccc(N)nc1S(N)(=O)=O.Cc1ccc(Nc2ncc(C)c(Nc3ccc4c(c3)N(C)C(=O)CO4)n2)cc1S(N)(=O)=O.Cc1cnc(Cl)nc1Cl.

What is the InChIKey of 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?

The InChIKey is AOKTYRGRZAGXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O4S.C12H9ClFN5O2.C8H9N3O2.C6H9N3O2S.C5H4Cl2N2/c1-12-4-5-15(9-18(12)32(22,29)30)25-21-23-10-13(2)20(26-21)24-14-6-7-17-16(8-14)27(3)19(28)11-31-17;1-19-9(20)5-21-7-2-3-8(17-11(7)19)16-10-6(14)4-15-12(13)18-10;1-11-7(12)4-13-5-2-3-6(9)10-8(5)11;1-4-2-3-5(7)9-6(4)12(8,10)11;1-3-2-8-5(7)9-4(3)6/h4-10H,11H2,1-3H3,(H2,22,29,30)(H2,23,24,25,26);2-4H,5H2,1H3,(H,15,16,17,18);2-3H,4H2,1H3,(H2,9,10);2-3H,1H3,(H2,7,9)(H2,8,10,11);2H,1H3.

What are the key properties of 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide?

6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 1293.61 g/mol, XLogP of 6.08, 8 rotatable bonds, 7 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 6-amino-3-methylpyridine-2-sulfonamide;6-amino-4-methylpyrido[3,2-b][1,4]oxazin-3-one;6-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-4-methylpyrido[3,2-b][1,4]oxazin-3-one;2,4-dichloro-5-methylpyrimidine;2-methyl-5-[[5-methyl-4-[(4-methyl-3-oxo-1,4-benzoxazin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 157179711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).