5-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

• ChemBase ID: 219098
• Molecular Formular: C15H13N3O3
• Molecular Mass: 283.28202
• Monoisotopic Mass: 283.09569129
• SMILES: n1(c2c(c(=O)[nH]c1=O)c(c1ccc(cc1)OC)ccn2)C
• Canonical SMILES: COc1ccc(cc1)c1ccnc2c1c(=O)[nH]c(=O)n2C
• InChI: InChI=1S/C15H13N3O3/c1-18-13-12(14(19)17-15(18)20)11(7-8-16-13)9-3-5-10(21-2)6-4-9/h3-8H,1-2H3,(H,17,19,20)
• InChIKey: DQPLNLJTSMCCFQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
• IUPAC Traditional name: 5-(4-methoxyphenyl)-1-methyl-3H-pyrido[2,3-d]pyrimidine-2,4-dione

Database IDs

• PubChem SID: 164275008
• PubChem CID: 16409017

CALCULATED PROPERTIES

• Acid pKa: 9.11416
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.4771833
• LogD (pH = 7.4): 1.4691402
• Log P: 1.4773529
• Molar Refractivity: 76.648 cm^3
• Polarizability: 29.882315 Å^3
• Polar Surface Area: 71.53 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds