1-{2-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione

• ChemBase ID: 653503
• Molecular Formular: C17H24N6O3
• Molecular Mass: 360.41086
• Monoisotopic Mass: 360.19098866
• SMILES: N1(C(=O)NC(=O)C1(C)C)CC(=O)N1Cc2c(c(nc(n2)C)N(C)C)CC1
• Canonical SMILES: O=C(N1CCc2c(C1)nc(nc2N(C)C)C)CN1C(=O)NC(=O)C1(C)C
• InChI: InChI=1S/C17H24N6O3/c1-10-18-12-8-22(7-6-11(12)14(19-10)21(4)5)13(24)9-23-16(26)20-15(25)17(23,2)3/h6-9H2,1-5H3,(H,20,25,26)
• InChIKey: BYQNQTUEWJDSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{2-[4-(dimethylamino)-2-methyl-5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
• IUPAC Traditional name: 1-{2-[4-(dimethylamino)-2-methyl-5H,6H,8H-pyrido[3,4-d]pyrimidin-7-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione
• Synonyms: 1-{2-[4-(dimethylamino)-2-methyl-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl]-2-oxoethyl}-5,5-dimethylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.144612
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 0.07647016
• LogD (pH = 7.4): 0.2671436
• Log P: 0.271001
• Molar Refractivity: 96.281 cm^3
• Polarizability: 35.79937 Å^3
• Polar Surface Area: 98.74 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.11
• LOG S: -3.23
• Polar Surface Area: 98.74 Å^2
• Rotatable Bonds: 3