5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione

• ChemBase ID: 750433
• Molecular Formular: C19H22N6O2
• Molecular Mass: 366.41698
• Monoisotopic Mass: 366.18042397
• SMILES: C1(=O)NC(=O)NC1(c1cnccc1)C1CCN(c2nc(cnc2C)C)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(C1CCN(CC1)c1nc(C)cnc1C)c1cccnc1
• InChI: InChI=1S/C19H22N6O2/c1-12-10-21-13(2)16(22-12)25-8-5-14(6-9-25)19(15-4-3-7-20-11-15)17(26)23-18(27)24-19/h3-4,7,10-11,14H,5-6,8-9H2,1-2H3,(H2,23,24,26,27)
• InChIKey: KXWGVYIIKIVZQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-(pyridin-3-yl)imidazolidine-2,4-dione
• Synonyms: 5-[1-(3,6-dimethylpyrazin-2-yl)piperidin-4-yl]-5-pyridin-3-ylimidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.771563
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): 0.08698911
• LogD (pH = 7.4): 0.1422628
• Log P: 0.14487454
• Molar Refractivity: 99.1621 cm^3
• Polarizability: 37.62615 Å^3
• Polar Surface Area: 100.11 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: 1.09
• LOG S: -2.8
• Polar Surface Area: 100.11 Å^2
• Rotatable Bonds: 3