5-ethyl-5-(1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidin-4-yl)imidazolidine-2,4-dione

• ChemBase ID: 829155
• Molecular Formular: C18H22N6O3
• Molecular Mass: 370.40568
• Monoisotopic Mass: 370.17533859
• SMILES: c1(n2c(nc1C)nccc2)C(=O)N1CCC(C2(C(=O)NC(=O)N2)CC)CC1
• Canonical SMILES: CCC1(NC(=O)NC1=O)C1CCN(CC1)C(=O)c1c(C)nc2n1cccn2
• InChI: InChI=1S/C18H22N6O3/c1-3-18(15(26)21-17(27)22-18)12-5-9-23(10-6-12)14(25)13-11(2)20-16-19-7-4-8-24(13)16/h4,7-8,12H,3,5-6,9-10H2,1-2H3,(H2,21,22,26,27)
• InChIKey: LDSLBTVVUHIIER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-5-(1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidin-4-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-5-(1-{2-methylimidazo[1,2-a]pyrimidine-3-carbonyl}piperidin-4-yl)imidazolidine-2,4-dione
• Synonyms: 5-ethyl-5-{1-[(2-methylimidazo[1,2-a]pyrimidin-3-yl)carbonyl]piperidin-4-yl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.167278
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.82916486
• LogD (pH = 7.4): -0.8298139
• Log P: -0.82907987
• Molar Refractivity: 98.4401 cm^3
• Polarizability: 36.492188 Å^3
• Polar Surface Area: 108.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.0
• LOG S: -3.21
• Polar Surface Area: 108.7 Å^2
• Rotatable Bonds: 3