8-(4-ethyl-5-methylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 722188
• Molecular Formular: C20H32N4O2
• Molecular Mass: 360.49368
• Monoisotopic Mass: 360.25252628
• SMILES: c1(nc(c(cn1)C)CC)N1CC2(CN(C(=O)CC2)CCCOC)CCC1
• Canonical SMILES: COCCCN1CC2(CCCN(C2)c2ncc(c(n2)CC)C)CCC1=O
• InChI: InChI=1S/C20H32N4O2/c1-4-17-16(2)13-21-19(22-17)24-10-5-8-20(15-24)9-7-18(25)23(14-20)11-6-12-26-3/h13H,4-12,14-15H2,1-3H3
• InChIKey: IBUMPQAEIOLMGF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-ethyl-5-methylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 8-(4-ethyl-5-methylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 8-(4-ethyl-5-methyl-2-pyrimidinyl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2266269
• LogD (pH = 7.4): 2.235217
• Log P: 2.2353277
• Molar Refractivity: 104.2735 cm^3
• Polarizability: 39.437073 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.08
• LOG S: -4.46
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6