2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane

• ChemBase ID: 349788
• Molecular Formular: C18H28N4
• Molecular Mass: 300.44172
• Monoisotopic Mass: 300.23139692
• SMILES: c1(nc(cc(n1)C)C1CCC1)N1CC2(CC1)CCN(CC2)C
• Canonical SMILES: CN1CCC2(CC1)CCN(C2)c1nc(C)cc(n1)C1CCC1
• InChI: InChI=1S/C18H28N4/c1-14-12-16(15-4-3-5-15)20-17(19-14)22-11-8-18(13-22)6-9-21(2)10-7-18/h12,15H,3-11,13H2,1-2H3
• InChIKey: MNEDSXKLLJXZCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane
• Synonyms: 2-(4-cyclobutyl-6-methylpyrimidin-2-yl)-8-methyl-2,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.80780107
• LogD (pH = 7.4): 0.0651285
• Log P: 2.7155454
• Molar Refractivity: 91.2157 cm^3
• Polarizability: 34.646072 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.71
• LOG S: -3.55
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2