8-(pyrimidin-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

• ChemBase ID: 358825
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: N1(C(=O)CC2(CC1=O)CCCC2)Cc1cncnc1
• Canonical SMILES: O=C1CC2(CCCC2)CC(=O)N1Cc1cncnc1
• InChI: InChI=1S/C14H17N3O2/c18-12-5-14(3-1-2-4-14)6-13(19)17(12)9-11-7-15-10-16-8-11/h7-8,10H,1-6,9H2
• InChIKey: SJKRKEBHBLZYNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(pyrimidin-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
• IUPAC Traditional name: 8-(pyrimidin-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione
• Synonyms: 8-(pyrimidin-5-ylmethyl)-8-azaspiro[4.5]decane-7,9-dione

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.48818913
• LogD (pH = 7.4): 0.48821327
• Log P: 0.48821357
• Molar Refractivity: 69.4795 cm^3
• Polarizability: 26.799332 Å^3
• Polar Surface Area: 63.16 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: 1.09
• LOG S: -2.02
• Polar Surface Area: 63.16 Å^2
• Rotatable Bonds: 2