2-(5-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 694847
• Molecular Formular: C13H18N4O2
• Molecular Mass: 262.30762
• Monoisotopic Mass: 262.14297584
• SMILES: C12(C(=O)NCCC2)CN(c2ncc(cn2)OC)CC1
• Canonical SMILES: COc1cnc(nc1)N1CCC2(C1)CCCNC2=O
• InChI: InChI=1S/C13H18N4O2/c1-19-10-7-15-12(16-8-10)17-6-4-13(9-17)3-2-5-14-11(13)18/h7-8H,2-6,9H2,1H3,(H,14,18)
• InChIKey: PKKCRJXUCPUTIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-(5-methoxypyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-(5-methoxy-2-pyrimidinyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.606143
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.40669295
• LogD (pH = 7.4): 0.40712133
• Log P: 0.40712705
• Molar Refractivity: 71.2763 cm^3
• Polarizability: 26.724417 Å^3
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.54
• LOG S: -1.57
• Polar Surface Area: 67.35 Å^2
• Rotatable Bonds: 2