2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-dimethylaniline

• ChemBase ID: 862036
• Molecular Formular: C13H14FN3O
• Molecular Mass: 247.2681632
• Monoisotopic Mass: 247.1120903
• SMILES: c1(nc(c(cn1)F)OC)c1c(N(C)C)cccc1
• Canonical SMILES: COc1nc(ncc1F)c1ccccc1N(C)C
• InChI: InChI=1S/C13H14FN3O/c1-17(2)11-7-5-4-6-9(11)12-15-8-10(14)13(16-12)18-3/h4-8H,1-3H3
• InChIKey: RYUCAAJTNOBBIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-dimethylaniline
• IUPAC Traditional name: 2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-dimethylaniline
• Synonyms: 2-(5-fluoro-4-methoxypyrimidin-2-yl)-N,N-dimethylaniline

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.1745603
• LogD (pH = 7.4): 3.1776881
• Log P: 3.1777282
• Molar Refractivity: 79.5551 cm^3
• Polarizability: 25.81525 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.15
• LOG S: -2.84
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 3