2-(2-methoxyethyl)-9-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 407276
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: N1(C(=O)CCC2(C1)CCN(c1ncccn1)CC2)CCOC
• Canonical SMILES: COCCN1CC2(CCN(CC2)c2ncccn2)CCC1=O
• InChI: InChI=1S/C16H24N4O2/c1-22-12-11-20-13-16(4-3-14(20)21)5-9-19(10-6-16)15-17-7-2-8-18-15/h2,7-8H,3-6,9-13H2,1H3
• InChIKey: PVLBDMMKBUSAEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-methoxyethyl)-9-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-(2-methoxyethyl)-9-(pyrimidin-2-yl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-(2-methoxyethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.67188203
• LogD (pH = 7.4): 0.67410475
• Log P: 0.6741332
• Molar Refractivity: 85.3025 cm^3
• Polarizability: 32.2396 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.28
• LOG S: -2.51
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 4