[(2-ethylpyrimidin-4-yl)methyl](methyl)[2-(oxan-4-yl)ethyl]amine

• ChemBase ID: 791844
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: n1c(nccc1CN(CCC1CCOCC1)C)CC
• Canonical SMILES: CCc1nccc(n1)CN(CCC1CCOCC1)C
• InChI: InChI=1S/C15H25N3O/c1-3-15-16-8-4-14(17-15)12-18(2)9-5-13-6-10-19-11-7-13/h4,8,13H,3,5-7,9-12H2,1-2H3
• InChIKey: YNSNTUXJFOFHDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethylpyrimidin-4-yl)methyl](methyl)[2-(oxan-4-yl)ethyl]amine
• IUPAC Traditional name: [(2-ethylpyrimidin-4-yl)methyl](methyl)[2-(oxan-4-yl)ethyl]amine
• Synonyms: N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-2-(tetrahydro-2H-pyran-4-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.21157564
• LogD (pH = 7.4): 1.5021662
• Log P: 1.9845676
• Molar Refractivity: 77.9656 cm^3
• Polarizability: 30.205866 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.87
• LOG S: -0.86
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 6