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

C77H94F4I4N12O19 — CID 160510092

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

acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid (PubChem CID 160510092) has the molecular formula C77H94F4I4N12O19 and a molecular weight of 2075.27 g/mol. Its IUPAC name is acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid.

Molecular Properties

• Compound Name: acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid
• PubChem CID: 160510092
• Molecular Formula: C77H94F4I4N12O19
• Molecular Weight: 2075.27 g/mol
• Exact Mass: 2074.29
• IUPAC Name: acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid
• SMILES: C.C.C.C.C.C.C.CC(=O)OC(C)=O.CC(C(=O)O)C(=O)O.CNc1cc(=O)n(-c2ccc(I)cc2F)c(=O)n1C1CC1.CNc1cc(=O)n(C2CC2)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(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O
• InChI: InChI=1S/C18H15FIN3O4.C16H13FIN3O4.2C14H13FIN3O2.C4H6O4.C4H6O3.7CH4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10;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;1-17-12-7-13(20)18(9-3-4-9)14(21)19(12)11-5-2-8(16)6-10(11)15;1-17-12-7-13(20)19(14(21)18(12)9-3-4-9)11-5-2-8(16)6-10(11)15;1-2(3(5)6)4(7)8;1-3(5)7-4(2)6;;;;;;;/h3,6-7,10,24H,4-5H2,1-2H3;4-6,22H,1-3H3;2*2,5-7,9,17H,3-4H2,1H3;2H,1H3,(H,5,6)(H,7,8);1-2H3;7*1H4
• InChIKey: QSXWNLIGVOSLEX-UHFFFAOYSA-N
• XLogP: 11.67
• TPSA: 402.49 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 29
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2075.27
LogP ≤ 5	11.67
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;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid?

The IUPAC name of acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid (CID 160510092) is acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid.

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

The canonical SMILES for acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid is C.C.C.C.C.C.C.CC(=O)OC(C)=O.CC(C(=O)O)C(=O)O.CNc1cc(=O)n(-c2ccc(I)cc2F)c(=O)n1C1CC1.CNc1cc(=O)n(C2CC2)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(C3CC3)c(=O)n(-c3ccc(I)cc3F)c2n(C)c1=O.

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

The InChIKey is QSXWNLIGVOSLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FIN3O4.C16H13FIN3O4.2C14H13FIN3O2.C4H6O4.C4H6O3.7CH4/c1-8-14(24)13-15(21(2)16(8)25)23(12-6-3-9(20)7-11(12)19)18(27)22(17(13)26)10-4-5-10;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;1-17-12-7-13(20)18(9-3-4-9)14(21)19(12)11-5-2-8(16)6-10(11)15;1-17-12-7-13(20)19(14(21)18(12)9-3-4-9)11-5-2-8(16)6-10(11)15;1-2(3(5)6)4(7)8;1-3(5)7-4(2)6;;;;;;;/h3,6-7,10,24H,4-5H2,1-2H3;4-6,22H,1-3H3;2*2,5-7,9,17H,3-4H2,1H3;2H,1H3,(H,5,6)(H,7,8);1-2H3;7*1H4.

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

acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid has a molecular weight of 2075.27 g/mol, XLogP of 11.67, 11 rotatable bonds, 6 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for acetyl acetate;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-5-hydroxy-6,8-dimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;1-cyclopropyl-3-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-cyclopropyl-1-(2-fluoro-4-iodophenyl)-6-(methylamino)pyrimidine-2,4-dione;3-(2-fluoro-4-iodophenyl)-5-hydroxy-1,6,8-trimethylpyrido[2,3-d]pyrimidine-2,4,7-trione;methane;2-methylpropanedioic acid is sourced from PubChem (CID 160510092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).