ethyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylate

• ChemBase ID: 254948
• Molecular Formular: C12H13N3O4
• Molecular Mass: 263.24932
• Monoisotopic Mass: 263.09060591
• SMILES: n1(c(=O)n(c(=O)c2c1nc(C(=O)OCC)cc2)C)C
• Canonical SMILES: CCOC(=O)c1ccc2c(n1)n(C)c(=O)n(c2=O)C
• InChI: InChI=1S/C12H13N3O4/c1-4-19-11(17)8-6-5-7-9(13-8)14(2)12(18)15(3)10(7)16/h5-6H,4H2,1-3H3
• InChIKey: QAMKIINYQSIYCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-7-carboxylate
• IUPAC Traditional name: ethyl 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxylate
• Synonyms: ethyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-7-carboxylate

Database IDs

• MDL Number: MFCD09863441
• PubChem SID: 164310858
• PubChem CID: 28819031

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.75761
• LogD (pH = 7.4): 0.7576101
• Log P: 0.7576101
• Molar Refractivity: 66.3472 cm^3
• Polarizability: 24.665657 Å^3
• Polar Surface Area: 79.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.863

Product Information

• Purity: 95%