{2-[(4-methoxypyrimidin-2-yl)oxy]hex-5-en-1-yl}(methyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 759690
• Molecular Formular: C18H24N4O2
• Molecular Mass: 328.40876
• Monoisotopic Mass: 328.18992603
• SMILES: n1c(nccc1OC)OC(CN(Cc1cnccc1)C)CCC=C
• Canonical SMILES: C=CCCC(Oc1nccc(n1)OC)CN(Cc1cccnc1)C
• InChI: InChI=1S/C18H24N4O2/c1-4-5-8-16(24-18-20-11-9-17(21-18)23-3)14-22(2)13-15-7-6-10-19-12-15/h4,6-7,9-12,16H,1,5,8,13-14H2,2-3H3
• InChIKey: ZBBBSVKEFDVTGW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(4-methoxypyrimidin-2-yl)oxy]hex-5-en-1-yl}(methyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: {2-[(4-methoxypyrimidin-2-yl)oxy]hex-5-en-1-yl}(methyl)(pyridin-3-ylmethyl)amine
• Synonyms: 2-[(4-methoxypyrimidin-2-yl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.4215948
• LogD (pH = 7.4): 2.1961644
• Log P: 3.0573285
• Molar Refractivity: 94.5719 cm^3
• Polarizability: 36.452957 Å^3
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.37
• LOG S: -2.17
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 10