(2-methoxyethyl)(methyl)(2-{[6-(piperidin-1-yl)pyrimidin-4-yl]oxy}hex-5-en-1-yl)amine

• ChemBase ID: 782623
• Molecular Formular: C19H32N4O2
• Molecular Mass: 348.48298
• Monoisotopic Mass: 348.25252628
• SMILES: c1(cc(ncn1)OC(CN(CCOC)C)CCC=C)N1CCCCC1
• Canonical SMILES: C=CCCC(Oc1ncnc(c1)N1CCCCC1)CN(CCOC)C
• InChI: InChI=1S/C19H32N4O2/c1-4-5-9-17(15-22(2)12-13-24-3)25-19-14-18(20-16-21-19)23-10-7-6-8-11-23/h4,14,16-17H,1,5-13,15H2,2-3H3
• InChIKey: TZWLMNIQZKQUAC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)(methyl)(2-{[6-(piperidin-1-yl)pyrimidin-4-yl]oxy}hex-5-en-1-yl)amine
• IUPAC Traditional name: (2-methoxyethyl)(methyl)(2-{[6-(piperidin-1-yl)pyrimidin-4-yl]oxy}hex-5-en-1-yl)amine
• Synonyms: (2-methoxyethyl)methyl{2-[(6-piperidin-1-ylpyrimidin-4-yl)oxy]hex-5-en-1-yl}amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.5765485
• LogD (pH = 7.4): 2.336052
• Log P: 3.535305
• Molar Refractivity: 103.6346 cm^3
• Polarizability: 39.223522 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.65
• LOG S: -3.0
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 11