5-methyl-2-(quinolin-6-yl)pyrimidin-4-amine

• ChemBase ID: 634800
• Molecular Formular: C14H12N4
• Molecular Mass: 236.27188
• Monoisotopic Mass: 236.1061964
• SMILES: n1c(ncc(c1N)C)c1cc2c(nccc2)cc1
• Canonical SMILES: Cc1cnc(nc1N)c1ccc2c(c1)cccn2
• InChI: InChI=1S/C14H12N4/c1-9-8-17-14(18-13(9)15)11-4-5-12-10(7-11)3-2-6-16-12/h2-8H,1H3,(H2,15,17,18)
• InChIKey: DWZAIGSKEZXFQZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2-(quinolin-6-yl)pyrimidin-4-amine
• IUPAC Traditional name: 5-methyl-2-(quinolin-6-yl)pyrimidin-4-amine
• Synonyms: 5-methyl-2-(6-quinolinyl)-4-pyrimidinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.5984774
• LogD (pH = 7.4): 2.8923833
• Log P: 2.8977473
• Molar Refractivity: 82.1098 cm^3
• Polarizability: 28.394861 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.11
• LOG S: -2.73
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 1