5,5-dimethyl-3-({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,3-oxazolidine-2,4-dione

• ChemBase ID: 328699
• Molecular Formular: C15H15N3O4
• Molecular Mass: 301.2973
• Monoisotopic Mass: 301.10625598
• SMILES: N1(C(=O)OC(C1=O)(C)C)Cc1nc2n(c(=O)c1)cccc2C
• Canonical SMILES: O=C1OC(C(=O)N1Cc1cc(=O)n2c(n1)c(C)ccc2)(C)C
• InChI: InChI=1S/C15H15N3O4/c1-9-5-4-6-17-11(19)7-10(16-12(9)17)8-18-13(20)15(2,3)22-14(18)21/h4-7H,8H2,1-3H3
• InChIKey: AALQKRKBZBQLFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,5-dimethyl-3-({9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,3-oxazolidine-2,4-dione
• IUPAC Traditional name: 5,5-dimethyl-3-({9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl}methyl)-1,3-oxazolidine-2,4-dione
• Synonyms: 5,5-dimethyl-3-[(9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl)methyl]-1,3-oxazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.111502
• LogD (pH = 7.4): 1.1115029
• Log P: 1.1115029
• Molar Refractivity: 79.5879 cm^3
• Polarizability: 29.438229 Å^3
• Polar Surface Area: 79.28 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.49
• LOG S: -2.67
• Polar Surface Area: 80.98 Å^2
• Rotatable Bonds: 2