2-({2-[(6-methoxypyrimidin-4-yl)oxy]hex-5-en-1-yl}(methyl)amino)-N,N-dimethylacetamide

• ChemBase ID: 486077
• Molecular Formular: C16H26N4O3
• Molecular Mass: 322.40264
• Monoisotopic Mass: 322.20049071
• SMILES: C(=O)(CN(CC(Oc1ncnc(c1)OC)CCC=C)C)N(C)C
• Canonical SMILES: C=CCCC(Oc1ncnc(c1)OC)CN(CC(=O)N(C)C)C
• InChI: InChI=1S/C16H26N4O3/c1-6-7-8-13(10-20(4)11-16(21)19(2)3)23-15-9-14(22-5)17-12-18-15/h6,9,12-13H,1,7-8,10-11H2,2-5H3
• InChIKey: RQXVHIDUIRZYSE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-({2-[(6-methoxypyrimidin-4-yl)oxy]hex-5-en-1-yl}(methyl)amino)-N,N-dimethylacetamide
• IUPAC Traditional name: 2-({2-[(6-methoxypyrimidin-4-yl)oxy]hex-5-en-1-yl}(methyl)amino)-N,N-dimethylacetamide
• Synonyms: 2-[{2-[(6-methoxypyrimidin-4-yl)oxy]hex-5-en-1-yl}(methyl)amino]-N,N-dimethylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.21146572
• LogD (pH = 7.4): 1.3319061
• Log P: 1.5845921
• Molar Refractivity: 90.1839 cm^3
• Polarizability: 34.50258 Å^3
• Polar Surface Area: 67.79 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: 2.0
• LOG S: -3.26
• Polar Surface Area: 67.79 Å^2
• Rotatable Bonds: 10