2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[1-(pyrazin-2-yl)piperidin-3-yl]acetamide

• ChemBase ID: 544373
• Molecular Formular: C17H22N6O2
• Molecular Mass: 342.39558
• Monoisotopic Mass: 342.18042397
• SMILES: c1(c(=O)[nH]c(nc1C)C)CC(=O)NC1CN(c2nccnc2)CCC1
• Canonical SMILES: O=C(Cc1c(C)nc([nH]c1=O)C)NC1CCCN(C1)c1cnccn1
• InChI: InChI=1S/C17H22N6O2/c1-11-14(17(25)21-12(2)20-11)8-16(24)22-13-4-3-7-23(10-13)15-9-18-5-6-19-15/h5-6,9,13H,3-4,7-8,10H2,1-2H3,(H,22,24)(H,20,21,25)
• InChIKey: CPWKNXDYICPHCU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-[1-(pyrazin-2-yl)piperidin-3-yl]acetamide
• IUPAC Traditional name: 2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-[1-(pyrazin-2-yl)piperidin-3-yl]acetamide
• Synonyms: 2-(2,4-dimethyl-6-oxo-1,6-dihydropyrimidin-5-yl)-N-(1-pyrazin-2-ylpiperidin-3-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.217195
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -0.8361532
• LogD (pH = 7.4): -0.8417722
• Log P: -0.8359585
• Molar Refractivity: 94.2397 cm^3
• Polarizability: 35.103436 Å^3
• Polar Surface Area: 99.58 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.59
• LOG S: -2.2
• Polar Surface Area: 103.87 Å^2
• Rotatable Bonds: 4