2-(6-fluoroquinolin-8-yl)-N,6-dimethylpyrimidin-4-amine

• ChemBase ID: 832020
• Molecular Formular: C15H13FN4
• Molecular Mass: 268.2889232
• Monoisotopic Mass: 268.11242466
• SMILES: c1(c2c3c(cc(c2)F)cccn3)nc(cc(n1)C)NC
• Canonical SMILES: CNc1cc(C)nc(n1)c1cc(F)cc2c1nccc2
• InChI: InChI=1S/C15H13FN4/c1-9-6-13(17-2)20-15(19-9)12-8-11(16)7-10-4-3-5-18-14(10)12/h3-8H,1-2H3,(H,17,19,20)
• InChIKey: LQDQUZKEWBIHAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(6-fluoroquinolin-8-yl)-N,6-dimethylpyrimidin-4-amine
• IUPAC Traditional name: 2-(6-fluoroquinolin-8-yl)-N,6-dimethylpyrimidin-4-amine
• Synonyms: 2-(6-fluoroquinolin-8-yl)-N,6-dimethylpyrimidin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.6902273
• LogD (pH = 7.4): 3.0749598
• Log P: 3.0829647
• Molar Refractivity: 87.3699 cm^3
• Polarizability: 29.831852 Å^3
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.53
• LOG S: -2.46
• Polar Surface Area: 50.7 Å^2
• Rotatable Bonds: 2