2-[3-(dimethylamino)propyl]-9-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 723637
• Molecular Formular: C20H33N5O
• Molecular Mass: 359.50892
• Monoisotopic Mass: 359.2685107
• SMILES: N1(C(=O)CCC2(C1)CCN(Cc1cnc(nc1)C)CC2)CCCN(C)C
• Canonical SMILES: CN(CCCN1CC2(CCN(CC2)Cc2cnc(nc2)C)CCC1=O)C
• InChI: InChI=1S/C20H33N5O/c1-17-21-13-18(14-22-17)15-24-11-7-20(8-12-24)6-5-19(26)25(16-20)10-4-9-23(2)3/h13-14H,4-12,15-16H2,1-3H3
• InChIKey: ZIMNQQZQVXJYOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(dimethylamino)propyl]-9-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-[3-(dimethylamino)propyl]-9-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-[3-(dimethylamino)propyl]-9-[(2-methylpyrimidin-5-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -5.35857
• LogD (pH = 7.4): -2.0674136
• Log P: 0.52860075
• Molar Refractivity: 105.936 cm^3
• Polarizability: 40.727814 Å^3
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.05
• LOG S: -3.17
• Polar Surface Area: 52.57 Å^2
• Rotatable Bonds: 6