2-methyl-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane

• ChemBase ID: 770833
• Molecular Formular: C15H24N4
• Molecular Mass: 260.37786
• Monoisotopic Mass: 260.20009679
• SMILES: c1(N2CC3(CN(CCC3)C)CCC2)ncc(cn1)C
• Canonical SMILES: CN1CCCC2(C1)CCCN(C2)c1ncc(cn1)C
• InChI: InChI=1S/C15H24N4/c1-13-9-16-14(17-10-13)19-8-4-6-15(12-19)5-3-7-18(2)11-15/h9-10H,3-8,11-12H2,1-2H3
• InChIKey: NUQIPYXPAHNBNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane
• IUPAC Traditional name: 2-methyl-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane
• Synonyms: 2-methyl-8-(5-methylpyrimidin-2-yl)-2,8-diazaspiro[5.5]undecane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.77026653
• LogD (pH = 7.4): 0.89182776
• Log P: 2.3423376
• Molar Refractivity: 79.5207 cm^3
• Polarizability: 29.928642 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.85
• LOG S: -2.53
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1