8-(6-methylpyridin-2-yl)-1-{[2-(propan-2-yl)pyrimidin-5-yl]methyl}-1,8-diazaspiro[4.5]decane

• ChemBase ID: 591011
• Molecular Formular: C22H31N5
• Molecular Mass: 365.51504
• Monoisotopic Mass: 365.25794602
• SMILES: N1(C2(CCN(c3nc(ccc3)C)CC2)CCC1)Cc1cnc(nc1)C(C)C
• Canonical SMILES: Cc1cccc(n1)N1CCC2(CC1)CCCN2Cc1cnc(nc1)C(C)C
• InChI: InChI=1S/C22H31N5/c1-17(2)21-23-14-19(15-24-21)16-27-11-5-8-22(27)9-12-26(13-10-22)20-7-4-6-18(3)25-20/h4,6-7,14-15,17H,5,8-13,16H2,1-3H3
• InChIKey: BRSODSCXTVJISP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(6-methylpyridin-2-yl)-1-{[2-(propan-2-yl)pyrimidin-5-yl]methyl}-1,8-diazaspiro[4.5]decane
• IUPAC Traditional name: 1-[(2-isopropylpyrimidin-5-yl)methyl]-8-(6-methylpyridin-2-yl)-1,8-diazaspiro[4.5]decane
• Synonyms: 1-[(2-isopropyl-5-pyrimidinyl)methyl]-8-(6-methyl-2-pyridinyl)-1,8-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.9369703
• LogD (pH = 7.4): 2.0546052
• Log P: 3.4763284
• Molar Refractivity: 111.2191 cm^3
• Polarizability: 42.236206 Å^3
• Polar Surface Area: 45.15 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: 2.39
• LOG S: -2.9
• Polar Surface Area: 45.15 Å^2
• Rotatable Bonds: 4