4-(6-methoxypyridin-3-yl)-N,N,5,6-tetramethylpyrimidin-2-amine

• ChemBase ID: 371494
• Molecular Formular: C14H18N4O
• Molecular Mass: 258.31892
• Monoisotopic Mass: 258.14806122
• SMILES: c1(nc(c(c(n1)C)C)c1cnc(cc1)OC)N(C)C
• Canonical SMILES: COc1ccc(cn1)c1nc(nc(c1C)C)N(C)C
• InChI: InChI=1S/C14H18N4O/c1-9-10(2)16-14(18(3)4)17-13(9)11-6-7-12(19-5)15-8-11/h6-8H,1-5H3
• InChIKey: SBDNRFKURDAPHW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(6-methoxypyridin-3-yl)-N,N,5,6-tetramethylpyrimidin-2-amine
• IUPAC Traditional name: 4-(6-methoxypyridin-3-yl)-N,N,5,6-tetramethylpyrimidin-2-amine
• Synonyms: 4-(6-methoxypyridin-3-yl)-N,N,5,6-tetramethylpyrimidin-2-amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 3.1
• LOG S: -3.73
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3

JChem

• H Donor: 0
• LogD (pH = 5.5): 2.717278
• LogD (pH = 7.4): 2.7333376
• Log P: 2.7335465
• Molar Refractivity: 76.1136 cm^3
• Polarizability: 29.466692 Å^3
• Polar Surface Area: 51.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 5