9-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 535375
• Molecular Formular: C19H28N4O3
• Molecular Mass: 360.45062
• Monoisotopic Mass: 360.21614078
• SMILES: c1(C(=O)N2CCC3(CN(C(=O)CC3)CCOC)CC2)nc(nc(c1)C)C
• Canonical SMILES: COCCN1CC2(CCC1=O)CCN(CC2)C(=O)c1cc(C)nc(n1)C
• InChI: InChI=1S/C19H28N4O3/c1-14-12-16(21-15(2)20-14)18(25)22-8-6-19(7-9-22)5-4-17(24)23(13-19)10-11-26-3/h12H,4-11,13H2,1-3H3
• InChIKey: QCFTVXLMVSWMOX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(2,6-dimethylpyrimidine-4-carbonyl)-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-[(2,6-dimethylpyrimidin-4-yl)carbonyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.24021335
• LogD (pH = 7.4): 0.24031712
• Log P: 0.24031845
• Molar Refractivity: 98.6436 cm^3
• Polarizability: 37.49229 Å^3
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.03
• LOG S: -3.11
• Polar Surface Area: 75.63 Å^2
• Rotatable Bonds: 4