3-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,3-oxazolidin-2-one

• ChemBase ID: 570868
• Molecular Formular: C13H13N3O3
• Molecular Mass: 259.26062
• Monoisotopic Mass: 259.09569129
• SMILES: n12c(nc(cc1=O)CN1C(=O)OCC1)cccc2C
• Canonical SMILES: O=C1OCCN1Cc1cc(=O)n2c(n1)cccc2C
• InChI: InChI=1S/C13H13N3O3/c1-9-3-2-4-11-14-10(7-12(17)16(9)11)8-15-5-6-19-13(15)18/h2-4,7H,5-6,8H2,1H3
• InChIKey: GPPAMTXIQZXTGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-({6-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}methyl)-1,3-oxazolidin-2-one
• IUPAC Traditional name: 3-({6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl}methyl)-1,3-oxazolidin-2-one
• Synonyms: 6-methyl-2-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.27870747
• LogD (pH = 7.4): 0.2787088
• Log P: 0.2787088
• Molar Refractivity: 71.7636 cm^3
• Polarizability: 25.654623 Å^3
• Polar Surface Area: 62.21 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.79
• LOG S: -1.77
• Polar Surface Area: 63.91 Å^2
• Rotatable Bonds: 2