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

• ChemBase ID: 225276
• Molecular Formular: C14H17N3O4
• Molecular Mass: 291.30248
• Monoisotopic Mass: 291.12190604
• SMILES: n1(c(=O)n(c(=O)c2c1nc(c(C(=O)OC(C)C)c2)C)C)C
• Canonical SMILES: CC(OC(=O)c1cc2c(=O)n(C)c(=O)n(c2nc1C)C)C
• InChI: InChI=1S/C14H17N3O4/c1-7(2)21-13(19)9-6-10-11(15-8(9)3)16(4)14(20)17(5)12(10)18/h6-7H,1-5H3
• InChIKey: GKPQWQVESCZTCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164281186
• PubChem CID: 56737974

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.119702
• LogD (pH = 7.4): 1.1197048
• Log P: 1.119705
• Molar Refractivity: 75.7295 cm^3
• Polarizability: 28.234367 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