9-(2-methyl-5-propylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 865630
• Molecular Formular: C22H34N4O2
• Molecular Mass: 386.53096
• Monoisotopic Mass: 386.26817635
• SMILES: c1(nc(ncc1CCC)C)N1CCC2(CN(C(=O)CC2)CC2OCCC2)CC1
• Canonical SMILES: CCCc1cnc(nc1N1CCC2(CC1)CCC(=O)N(C2)CC1CCCO1)C
• InChI: InChI=1S/C22H34N4O2/c1-3-5-18-14-23-17(2)24-21(18)25-11-9-22(10-12-25)8-7-20(27)26(16-22)15-19-6-4-13-28-19/h14,19H,3-13,15-16H2,1-2H3
• InChIKey: OVRNEHGQQGZQBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2-methyl-5-propylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(2-methyl-5-propylpyrimidin-4-yl)-2-(oxolan-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(2-methyl-5-propylpyrimidin-4-yl)-2-(tetrahydrofuran-2-ylmethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.3541179
• LogD (pH = 7.4): 2.9888532
• Log P: 3.0084796
• Molar Refractivity: 111.7488 cm^3
• Polarizability: 42.388027 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: 2.12
• LOG S: -3.83
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5