[(2-ethylpyrimidin-4-yl)methyl](methyl)[3-(oxolan-2-yl)propyl]amine

• ChemBase ID: 699552
• Molecular Formular: C15H25N3O
• Molecular Mass: 263.3785
• Monoisotopic Mass: 263.19976244
• SMILES: n1c(nccc1CN(CCCC1OCCC1)C)CC
• Canonical SMILES: CCc1nccc(n1)CN(CCCC1CCCO1)C
• InChI: InChI=1S/C15H25N3O/c1-3-15-16-9-8-13(17-15)12-18(2)10-4-6-14-7-5-11-19-14/h8-9,14H,3-7,10-12H2,1-2H3
• InChIKey: INXDUJROZCULPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2-ethylpyrimidin-4-yl)methyl](methyl)[3-(oxolan-2-yl)propyl]amine
• IUPAC Traditional name: [(2-ethylpyrimidin-4-yl)methyl](methyl)[3-(oxolan-2-yl)propyl]amine
• Synonyms: N-[(2-ethylpyrimidin-4-yl)methyl]-N-methyl-3-(tetrahydrofuran-2-yl)propan-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.013861156
• LogD (pH = 7.4): 1.7118593
• Log P: 2.1601012
• Molar Refractivity: 77.7588 cm^3
• Polarizability: 30.205866 Å^3
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.01
• LOG S: -0.98
• Polar Surface Area: 38.25 Å^2
• Rotatable Bonds: 7