methyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylate

• ChemBase ID: 254028
• Molecular Formular: C11H11N3O4
• Molecular Mass: 249.22274
• Monoisotopic Mass: 249.07495585
• SMILES: n1(c(=O)n(c2c(c1=O)cc(C(=O)OC)cn2)C)C
• Canonical SMILES: COC(=O)c1cnc2c(c1)c(=O)n(c(=O)n2C)C
• InChI: InChI=1S/C11H11N3O4/c1-13-8-7(9(15)14(2)11(13)17)4-6(5-12-8)10(16)18-3/h4-5H,1-3H3
• InChIKey: DPENQUOBOUPTNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 1,3-dimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylate
• IUPAC Traditional name: methyl 1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate
• Synonyms: methyl 1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate

Database IDs

• CAS Number: 120788-68-3
• MDL Number: MFCD02954282
• PubChem SID: 164309938
• PubChem CID: 1232443

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.21495153
• LogD (pH = 7.4): 0.21495177
• Log P: 0.21495178
• Molar Refractivity: 61.9706 cm^3
• Polarizability: 22.840872 Å^3
• Polar Surface Area: 79.81 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.734

Product Information

• Purity: 95%