8-(6-methyl-2-phenylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

• ChemBase ID: 689495
• Molecular Formular: C18H20N4O2
• Molecular Mass: 324.377
• Monoisotopic Mass: 324.1586259
• SMILES: n1c(N2CCC3(OC(=O)NC3)CC2)cc(nc1c1ccccc1)C
• Canonical SMILES: O=C1NCC2(O1)CCN(CC2)c1cc(C)nc(n1)c1ccccc1
• InChI: InChI=1S/C18H20N4O2/c1-13-11-15(21-16(20-13)14-5-3-2-4-6-14)22-9-7-18(8-10-22)12-19-17(23)24-18/h2-6,11H,7-10,12H2,1H3,(H,19,23)
• InChIKey: CDTWUIQSHPTQTD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-methyl-2-phenylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• IUPAC Traditional name: 8-(6-methyl-2-phenylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
• Synonyms: 8-(6-methyl-2-phenylpyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.849985
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0170507
• LogD (pH = 7.4): 2.7523766
• Log P: 2.7781584
• Molar Refractivity: 101.8368 cm^3
• Polarizability: 35.045666 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.26
• LOG S: -3.5
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2