ethyl 1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylate

• ChemBase ID: 186598
• Molecular Formular: C13H15N3O4
• Molecular Mass: 277.2759
• Monoisotopic Mass: 277.10625598
• SMILES: n1(c(=O)n(c(=O)c2c1nc(c(c2)C(=O)OCC)C)C)C
• Canonical SMILES: CCOC(=O)c1cc2c(=O)n(C)c(=O)n(c2nc1C)C
• InChI: InChI=1S/C13H15N3O4/c1-5-20-12(18)8-6-9-10(14-7(8)2)15(3)13(19)16(4)11(9)17/h6H,5H2,1-4H3
• InChIKey: PDWJEGJIBINKKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 1,3,7-trimethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-6-carboxylate
• IUPAC Traditional name: ethyl 1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-6-carboxylate

Database IDs

• PubChem SID: 164242508
• PubChem CID: 933084

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.70312697
• LogD (pH = 7.4): 0.7031299
• Log P: 0.7031299
• Molar Refractivity: 71.3107 cm^3
• Polarizability: 26.41045 Å^3
• Polar Surface Area: 79.81 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds