2-cyclopentyl-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 761485
• Molecular Formular: C19H28N4O2
• Molecular Mass: 344.45122
• Monoisotopic Mass: 344.22122616
• SMILES: N1(C(=O)CCC2(C1)CN(c1ncc(cn1)OC)CCC2)C1CCCC1
• Canonical SMILES: COc1cnc(nc1)N1CCCC2(C1)CCC(=O)N(C2)C1CCCC1
• InChI: InChI=1S/C19H28N4O2/c1-25-16-11-20-18(21-12-16)22-10-4-8-19(13-22)9-7-17(24)23(14-19)15-5-2-3-6-15/h11-12,15H,2-10,13-14H2,1H3
• InChIKey: IRPRZQAFCPBVDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentyl-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 2-cyclopentyl-8-(5-methoxypyrimidin-2-yl)-2,8-diazaspiro[5.5]undecan-3-one
• Synonyms: 2-cyclopentyl-8-(5-methoxy-2-pyrimidinyl)-2,8-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.0736072
• LogD (pH = 7.4): 2.0740411
• Log P: 2.0740469
• Molar Refractivity: 96.9814 cm^3
• Polarizability: 37.015457 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.35
• LOG S: -4.57
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3