5-amino-1,3,6-trimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione

• ChemBase ID: 114910
• Molecular Formular: C10H12N4O2
• Molecular Mass: 220.22788
• Monoisotopic Mass: 220.09602564
• SMILES: n1(c(=O)n(c2c(c1=O)c(c(cn2)C)N)C)C
• Canonical SMILES: Cc1cnc2c(c1N)c(=O)n(c(=O)n2C)C
• InChI: InChI=1S/C10H12N4O2/c1-5-4-12-8-6(7(5)11)9(15)14(3)10(16)13(8)2/h4H,1-3H3,(H2,11,12)
• InChIKey: ILCHHQGAWJFUQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-1,3,6-trimethyl-1H,2H,3H,4H-pyrido[2,3-d]pyrimidine-2,4-dione
• IUPAC Traditional name: 5-amino-1,3,6-trimethylpyrido[2,3-d]pyrimidine-2,4-dione
• Synonyms: 5-amino-1,3,6-trimethylpyrido[2,3-{d}]pyrimidine-2,4(1{H},3{H})-dione

Database IDs

• MDL Number: MFCD16652787
• PubChem SID: 162100274
• PubChem CID: 33676476

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.24190418
• LogD (pH = 7.4): 0.5402718
• Log P: 0.54597026
• Molar Refractivity: 59.6869 cm^3
• Polarizability: 21.240376 Å^3
• Polar Surface Area: 79.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: -0.949

Product Information

• Purity: 95+%