2-cyclopropyl-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 692745
• Molecular Formular: C20H30N4O
• Molecular Mass: 342.4784
• Monoisotopic Mass: 342.2419616
• SMILES: c1(c(c(nc(n1)C)C)CC)N1CC2(CN(C(=O)CC2)C2CC2)CCC1
• Canonical SMILES: CCc1c(C)nc(nc1N1CCCC2(C1)CCC(=O)N(C2)C1CC1)C
• InChI: InChI=1S/C20H30N4O/c1-4-17-14(2)21-15(3)22-19(17)23-11-5-9-20(12-23)10-8-18(25)24(13-20)16-6-7-16/h16H,4-13H2,1-3H3
• InChIKey: OUMSTDLCPRDCDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropyl-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopropyl-8-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopropyl-8-(5-ethyl-2,6-dimethyl-4-pyrimidinyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.8087683
• LogD (pH = 7.4): 2.9677784
• Log P: 3.0539737
• Molar Refractivity: 100.5418 cm^3
• Polarizability: 37.92991 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.49
• LOG S: -3.82
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3