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

• ChemBase ID: 758965
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: C1(=O)N(Cc2nc(cc(n2)C)c2ccccc2)CC2(O1)CCNCC2
• Canonical SMILES: Cc1nc(CN2CC3(OC2=O)CCNCC3)nc(c1)c1ccccc1
• InChI: InChI=1S/C19H22N4O2/c1-14-11-16(15-5-3-2-4-6-15)22-17(21-14)12-23-13-19(25-18(23)24)7-9-20-10-8-19/h2-6,11,20H,7-10,12-13H2,1H3
• InChIKey: ZJOKIRGIUKBXMY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -1.4419582
• LogD (pH = 7.4): -0.40302974
• Log P: 1.8681016
• Molar Refractivity: 94.1032 cm^3
• Polarizability: 37.953156 Å^3
• Polar Surface Area: 67.35 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: 2.58
• LOG S: -2.86
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 3