N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

• ChemBase ID: 684192
• Molecular Formular: C17H27N5O2
• Molecular Mass: 333.42858
• Monoisotopic Mass: 333.21647513
• SMILES: N1(C(C(=O)NCCc2nc(nc(c2)O)C)CC2(C1)CCNCC2)C
• Canonical SMILES: CN1CC2(CC1C(=O)NCCc1cc(O)nc(n1)C)CCNCC2
• InChI: InChI=1S/C17H27N5O2/c1-12-20-13(9-15(23)21-12)3-6-19-16(24)14-10-17(11-22(14)2)4-7-18-8-5-17/h9,14,18H,3-8,10-11H2,1-2H3,(H,19,24)(H,20,21,23)
• InChIKey: FHUXAIOUJQDTHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• IUPAC Traditional name: N-[2-(6-hydroxy-2-methylpyrimidin-4-yl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide
• Synonyms: N-[2-(6-hydroxy-2-methyl-4-pyrimidinyl)ethyl]-2-methyl-2,8-diazaspiro[4.5]decane-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.191679
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -5.72235
• LogD (pH = 7.4): -3.3366058
• Log P: 0.3468098
• Molar Refractivity: 92.5507 cm^3
• Polarizability: 35.823864 Å^3
• Polar Surface Area: 90.38 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: -1.86
• LOG S: -1.35
• Polar Surface Area: 90.38 Å^2
• Rotatable Bonds: 4