2-[(5-methylpyrazin-2-yl)methyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 794844
• Molecular Formular: C20H26N6O
• Molecular Mass: 366.46004
• Monoisotopic Mass: 366.21680948
• SMILES: N1(C(=O)CCC2(C1)CCN(c1cc(ncn1)C)CC2)Cc1ncc(nc1)C
• Canonical SMILES: Cc1ncc(nc1)CN1CC2(CCC1=O)CCN(CC2)c1ncnc(c1)C
• InChI: InChI=1S/C20H26N6O/c1-15-9-18(24-14-23-15)25-7-5-20(6-8-25)4-3-19(27)26(13-20)12-17-11-21-16(2)10-22-17/h9-11,14H,3-8,12-13H2,1-2H3
• InChIKey: UBDQYSROTQHZKK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(5-methylpyrazin-2-yl)methyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-[(5-methylpyrazin-2-yl)methyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-[(5-methylpyrazin-2-yl)methyl]-9-(6-methylpyrimidin-4-yl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.3119809
• LogD (pH = 7.4): 0.25447574
• Log P: 0.27012068
• Molar Refractivity: 103.5861 cm^3
• Polarizability: 39.17856 Å^3
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.38
• LOG S: -2.2
• Polar Surface Area: 75.11 Å^2
• Rotatable Bonds: 3