2-amino-6-methyl-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)pyrimidine-4-carboxamide

• ChemBase ID: 781668
• Molecular Formular: C15H15N5O2
• Molecular Mass: 297.3119
• Monoisotopic Mass: 297.12257475
• SMILES: C1(NC(=O)c2nc(nc(c2)C)N)CC(=O)Nc2c1cccc2
• Canonical SMILES: O=C1CC(NC(=O)c2cc(C)nc(n2)N)c2c(N1)cccc2
• InChI: InChI=1S/C15H15N5O2/c1-8-6-12(20-15(16)17-8)14(22)19-11-7-13(21)18-10-5-3-2-4-9(10)11/h2-6,11H,7H2,1H3,(H,18,21)(H,19,22)(H2,16,17,20)
• InChIKey: QFUTUMUPZCXOCH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-methyl-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)pyrimidine-4-carboxamide
• IUPAC Traditional name: 2-amino-6-methyl-N-(2-oxo-3,4-dihydro-1H-quinolin-4-yl)pyrimidine-4-carboxamide
• Synonyms: 2-amino-6-methyl-N-(2-oxo-1,2,3,4-tetrahydroquinolin-4-yl)pyrimidine-4-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.500781
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 0.45034623
• LogD (pH = 7.4): 0.45141077
• Log P: 0.4514247
• Molar Refractivity: 82.8494 cm^3
• Polarizability: 29.907293 Å^3
• Polar Surface Area: 110.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: 0.72
• LOG S: -1.98
• Polar Surface Area: 110.0 Å^2
• Rotatable Bonds: 2