1,7-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

• ChemBase ID: 220363
• Molecular Formular: C9H9N3O2
• Molecular Mass: 191.18666
• Monoisotopic Mass: 191.06947654
• SMILES: n1(c2c(c(=O)[nH]c1=O)ccc(n2)C)C
• Canonical SMILES: Cc1ccc2c(n1)n(C)c(=O)[nH]c2=O
• InChI: InChI=1S/C9H9N3O2/c1-5-3-4-6-7(10-5)12(2)9(14)11-8(6)13/h3-4H,1-2H3,(H,11,13,14)
• InChIKey: GSIWTQGPYXICDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,7-dimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
• IUPAC Traditional name: 1,7-dimethyl-3H-pyrido[2,3-d]pyrimidine-2,4-dione

Database IDs

• PubChem SID: 164276273
• PubChem CID: 11159818

CALCULATED PROPERTIES

• Acid pKa: 9.295956
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.11899651
• LogD (pH = 7.4): 0.11374664
• Log P: 0.119168915
• Molar Refractivity: 49.6401 cm^3
• Polarizability: 18.253689 Å^3
• Polar Surface Area: 62.3 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds