5-ethyl-5-(1-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 568285
• Molecular Formular: C17H25N5O3
• Molecular Mass: 347.4121
• Monoisotopic Mass: 347.19573969
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2cnc(nc2)COC)CC1)CC
• Canonical SMILES: COCc1ncc(cn1)CN1CCC(CC1)C1(CC)NC(=O)NC1=O
• InChI: InChI=1S/C17H25N5O3/c1-3-17(15(23)20-16(24)21-17)13-4-6-22(7-5-13)10-12-8-18-14(11-25-2)19-9-12/h8-9,13H,3-7,10-11H2,1-2H3,(H2,20,21,23,24)
• InChIKey: RSMKWEDHRQMBPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-5-(1-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-5-(1-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 5-ethyl-5-(1-{[2-(methoxymethyl)pyrimidin-5-yl]methyl}piperidin-4-yl)imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.156373
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.8868738
• LogD (pH = 7.4): -0.2146407
• Log P: 0.18849936
• Molar Refractivity: 92.6525 cm^3
• Polarizability: 35.700558 Å^3
• Polar Surface Area: 96.45 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -0.45
• LOG S: -2.66
• Polar Surface Area: 96.45 Å^2
• Rotatable Bonds: 6