8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 512252
• Molecular Formular: C21H32N4O2
• Molecular Mass: 372.50438
• Monoisotopic Mass: 372.25252628
• SMILES: c1(nc(cc(n1)C)C1CCC1)N1CCC2(CN(C(=O)C2)CCCOC)CC1
• Canonical SMILES: COCCCN1CC2(CC1=O)CCN(CC2)c1nc(C)cc(n1)C1CCC1
• InChI: InChI=1S/C21H32N4O2/c1-16-13-18(17-5-3-6-17)23-20(22-16)24-10-7-21(8-11-24)14-19(26)25(15-21)9-4-12-27-2/h13,17H,3-12,14-15H2,1-2H3
• InChIKey: DSIKNHXEUIKBBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(4-cyclobutyl-6-methylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(4-cyclobutyl-6-methyl-2-pyrimidinyl)-2-(3-methoxypropyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.7177763
• LogD (pH = 7.4): 1.7758354
• Log P: 1.7766294
• Molar Refractivity: 106.7501 cm^3
• Polarizability: 40.55006 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: 3.12
• LOG S: -4.58
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 6