9-(4,6-dimethylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 323882
• Molecular Formular: C19H30N4O2
• Molecular Mass: 346.4671
• Monoisotopic Mass: 346.23687622
• SMILES: c1(N2CCC3(CN(C(=O)CC3)CCCOC)CC2)nc(cc(n1)C)C
• Canonical SMILES: COCCCN1CC2(CCC1=O)CCN(CC2)c1nc(C)cc(n1)C
• InChI: InChI=1S/C19H30N4O2/c1-15-13-16(2)21-18(20-15)22-10-7-19(8-11-22)6-5-17(24)23(14-19)9-4-12-25-3/h13H,4-12,14H2,1-3H3
• InChIKey: JIRMKTSOBFNLJB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(4,6-dimethylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(4,6-dimethylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(4,6-dimethylpyrimidin-2-yl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.8792483
• LogD (pH = 7.4): 0.9951304
• Log P: 0.99683326
• Molar Refractivity: 99.3509 cm^3
• Polarizability: 37.598156 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.42
• LOG S: -3.79
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5