5-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazine-2-carboxamide

• ChemBase ID: 829538
• Molecular Formular: C20H19N5O
• Molecular Mass: 345.39776
• Monoisotopic Mass: 345.15896025
• SMILES: c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)c1ncc(nc1)C
• Canonical SMILES: Cc1cnc(cn1)C(=O)NC1CCCc2c1cnc(n2)c1ccccc1
• InChI: InChI=1S/C20H19N5O/c1-13-10-22-18(12-21-13)20(26)25-17-9-5-8-16-15(17)11-23-19(24-16)14-6-3-2-4-7-14/h2-4,6-7,10-12,17H,5,8-9H2,1H3,(H,25,26)
• InChIKey: LYSMYAUMWXESMR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazine-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)pyrazine-2-carboxamide
• Synonyms: 5-methyl-N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)-2-pyrazinecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.865002
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.1199667
• LogD (pH = 7.4): 2.1201942
• Log P: 2.1201973
• Molar Refractivity: 108.3848 cm^3
• Polarizability: 37.77492 Å^3
• Polar Surface Area: 80.66 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.76
• LOG S: -5.23
• Polar Surface Area: 80.66 Å^2
• Rotatable Bonds: 3