2-[2-(benzyloxy)ethyl]-4-methoxypyrimidine

• ChemBase ID: 502117
• Molecular Formular: C14H16N2O2
• Molecular Mass: 244.28904
• Monoisotopic Mass: 244.12117776
• SMILES: n1c(nccc1OC)CCOCc1ccccc1
• Canonical SMILES: COc1ccnc(n1)CCOCc1ccccc1
• InChI: InChI=1S/C14H16N2O2/c1-17-14-7-9-15-13(16-14)8-10-18-11-12-5-3-2-4-6-12/h2-7,9H,8,10-11H2,1H3
• InChIKey: KZQRXCYFDVWSQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(benzyloxy)ethyl]-4-methoxypyrimidine
• IUPAC Traditional name: 2-[2-(benzyloxy)ethyl]-4-methoxypyrimidine
• Synonyms: 2-[2-(benzyloxy)ethyl]-4-methoxypyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6675887
• LogD (pH = 7.4): 2.6720085
• Log P: 2.6720653
• Molar Refractivity: 69.8888 cm^3
• Polarizability: 26.786238 Å^3
• Polar Surface Area: 44.24 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: 2.85
• LOG S: -3.42
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 6