8-[6-(2-methylpropyl)-2-oxo-1,2-dihydropyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 436803
• Molecular Formular: C17H24N4O3
• Molecular Mass: 332.39746
• Monoisotopic Mass: 332.18484065
• SMILES: c1(nc(=O)[nH]c(c1)CC(C)C)C(=O)N1CCC2(CC(=O)NC2)CC1
• Canonical SMILES: CC(Cc1cc(nc(=O)[nH]1)C(=O)N1CCC2(CC1)CNC(=O)C2)C
• InChI: InChI=1S/C17H24N4O3/c1-11(2)7-12-8-13(20-16(24)19-12)15(23)21-5-3-17(4-6-21)9-14(22)18-10-17/h8,11H,3-7,9-10H2,1-2H3,(H,18,22)(H,19,20,24)
• InChIKey: UOROSAQCHYRNER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-[6-(2-methylpropyl)-2-oxo-1,2-dihydropyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-[6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-[(6-isobutyl-2-oxo-1,2-dihydro-4-pyrimidinyl)carbonyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.627777
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.11787504
• LogD (pH = 7.4): -0.12011603
• Log P: -0.1178462
• Molar Refractivity: 90.1229 cm^3
• Polarizability: 34.018707 Å^3
• Polar Surface Area: 90.87 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: -0.69
• LOG S: -2.35
• Polar Surface Area: 95.16 Å^2
• Rotatable Bonds: 3