4-(methoxymethyl)-6-(4-methoxynaphthalen-1-yl)pyrimidine

• ChemBase ID: 460924
• Molecular Formular: C17H16N2O2
• Molecular Mass: 280.32114
• Monoisotopic Mass: 280.12117776
• SMILES: c1(c2c(c(cc1)OC)cccc2)c1ncnc(c1)COC
• Canonical SMILES: COCc1ncnc(c1)c1ccc(c2c1cccc2)OC
• InChI: InChI=1S/C17H16N2O2/c1-20-10-12-9-16(19-11-18-12)14-7-8-17(21-2)15-6-4-3-5-13(14)15/h3-9,11H,10H2,1-2H3
• InChIKey: RKDMIQKCLMDFGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(methoxymethyl)-6-(4-methoxynaphthalen-1-yl)pyrimidine
• IUPAC Traditional name: 4-(methoxymethyl)-6-(4-methoxynaphthalen-1-yl)pyrimidine
• Synonyms: 4-(methoxymethyl)-6-(4-methoxy-1-naphthyl)pyrimidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.8718538
• LogD (pH = 7.4): 2.871865
• Log P: 2.8718653
• Molar Refractivity: 81.4448 cm^3
• Polarizability: 33.96648 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.36
• LOG S: -3.26
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 4