2-(propan-2-yl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 842870
• Molecular Formular: C19H30N4O
• Molecular Mass: 330.4677
• Monoisotopic Mass: 330.2419616
• SMILES: N1(C(=O)CCC2(C1)CN(c1ncncc1CCC)CCC2)C(C)C
• Canonical SMILES: CCCc1cncnc1N1CCCC2(C1)CCC(=O)N(C2)C(C)C
• InChI: InChI=1S/C19H30N4O/c1-4-6-16-11-20-14-21-18(16)22-10-5-8-19(12-22)9-7-17(24)23(13-19)15(2)3/h11,14-15H,4-10,12-13H2,1-3H3
• InChIKey: UJVSIEOSKOYMDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-isopropyl-8-(5-propylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-isopropyl-8-(5-propyl-4-pyrimidinyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.8309171
• LogD (pH = 7.4): 2.966568
• Log P: 2.9686294
• Molar Refractivity: 97.8831 cm^3
• Polarizability: 36.97058 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• H Acceptors: 4

供应商提供(Chembridge)

• H Donor: 0
• Log P: 2.79
• LOG S: -3.99
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4
• H Acceptors: 3