acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid

C67H72F4I4N12O19 — CID 158548140

About acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid

acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid (PubChem CID 158548140) has the molecular formula C67H72F4I4N12O19 and a molecular weight of 1932.99 g/mol. Its IUPAC name is acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid.

Molecular Properties

• Compound Name: acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid
• PubChem CID: 158548140
• Molecular Formula: C67H72F4I4N12O19
• Molecular Weight: 1932.99 g/mol
• Exact Mass: 1932.12
• IUPAC Name: acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid
• SMILES: C.C.C.CC(=O)OC(C)=O.CC(C(=O)O)C(=O)O.CNc1cc(=O)n(-c2ccc(I)cc2F)c(=O)n1C.CNc1cc(=O)n(C)c(=O)n1-c1ccc(I)cc1F.Cc1c(O)c2c(=O)n(-c3ccc(I)cc3F)c(=O)n(C)c2n(C)c1=O.Cc1c(O)c2c(=O)n(C)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
• InChI: InChI=1S/2C16H13FIN3O4.2C12H11FIN3O2.C4H6O4.C4H6O3.3CH4/c1-7-12(22)11-13(19(2)14(7)23)21(16(25)20(3)15(11)24)10-5-4-8(18)6-9(10)17;1-7-12(22)11-13(19(2)14(7)23)20(3)16(25)21(15(11)24)10-5-4-8(18)6-9(10)17;1-15-10-6-11(18)16(2)12(19)17(10)9-4-3-7(14)5-8(9)13;1-15-10-6-11(18)17(12(19)16(10)2)9-4-3-7(14)5-8(9)13;1-2(3(5)6)4(7)8;1-3(5)7-4(2)6;;;/h2*4-6,22H,1-3H3;2*3-6,15H,1-2H3;2H,1H3,(H,5,6)(H,7,8);1-2H3;3*1H4
• InChIKey: HPJQUEOQKZSUEP-UHFFFAOYSA-N
• XLogP: 6.73
• TPSA: 402.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 8
• Heavy Atoms: 106
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1932.99
LogP ≤ 5	6.73
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid?

The IUPAC name of acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid (CID 158548140) is acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid.

What is the SMILES notation for acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid?

The canonical SMILES for acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid is C.C.C.CC(=O)OC(C)=O.CC(C(=O)O)C(=O)O.CNc1cc(=O)n(-c2ccc(I)cc2F)c(=O)n1C.CNc1cc(=O)n(C)c(=O)n1-c1ccc(I)cc1F.Cc1c(O)c2c(=O)n(-c3ccc(I)cc3F)c(=O)n(C)c2n(C)c1=O.Cc1c(O)c2c(=O)n(C)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O.

What is the InChIKey of acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid?

The InChIKey is HPJQUEOQKZSUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H13FIN3O4.2C12H11FIN3O2.C4H6O4.C4H6O3.3CH4/c1-7-12(22)11-13(19(2)14(7)23)21(16(25)20(3)15(11)24)10-5-4-8(18)6-9(10)17;1-7-12(22)11-13(19(2)14(7)23)20(3)16(25)21(15(11)24)10-5-4-8(18)6-9(10)17;1-15-10-6-11(18)16(2)12(19)17(10)9-4-3-7(14)5-8(9)13;1-15-10-6-11(18)17(12(19)16(10)2)9-4-3-7(14)5-8(9)13;1-2(3(5)6)4(7)8;1-3(5)7-4(2)6;;;/h2*4-6,22H,1-3H3;2*3-6,15H,1-2H3;2H,1H3,(H,5,6)(H,7,8);1-2H3;3*1H4.

What are the key properties of acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid?

acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid has a molecular weight of 1932.99 g/mol, XLogP of 6.73, 8 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;1-(2-fluoro-4-iodophenyl)-5-hydroxy-3,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-(2-fluoro-4-iodophenyl)-3-methyl-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-1-methyl-6-(methylamino)pyrimidine-2,4-dione;methane;2-methylpropanedioic acid is sourced from PubChem (CID 158548140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).