2-methyl-8-[4-methyl-2-(propan-2-yl)pyrimidine-5-carbonyl]-2,8-diazaspiro[4.5]decane

• ChemBase ID: 471711
• Molecular Formular: C18H28N4O
• Molecular Mass: 316.44112
• Monoisotopic Mass: 316.22631154
• SMILES: c1(C(=O)N2CCC3(CN(CC3)C)CC2)c(nc(nc1)C(C)C)C
• Canonical SMILES: CN1CCC2(C1)CCN(CC2)C(=O)c1cnc(nc1C)C(C)C
• InChI: InChI=1S/C18H28N4O/c1-13(2)16-19-11-15(14(3)20-16)17(23)22-9-6-18(7-10-22)5-8-21(4)12-18/h11,13H,5-10,12H2,1-4H3
• InChIKey: WRMWOAURVZCOGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-8-[4-methyl-2-(propan-2-yl)pyrimidine-5-carbonyl]-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 8-(2-isopropyl-4-methylpyrimidine-5-carbonyl)-2-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 8-[(2-isopropyl-4-methylpyrimidin-5-yl)carbonyl]-2-methyl-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.8550236
• LogD (pH = 7.4): -0.4409245
• Log P: 1.6186097
• Molar Refractivity: 92.947 cm^3
• Polarizability: 35.228916 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.96
• LOG S: -2.33
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 2