4-methoxy-6-(tributylstannyl)pyrimidine

• ChemBase ID: 806580
• Molecular Formular: C17H32N2OSn
• Molecular Mass: 399.14978
• Monoisotopic Mass: 400.15365765
• SMILES: c1c(ncnc1OC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ncnc(c1)OC)(CCCC)CCCC
• InChI: InChI=1S/C5H5N2O.3C4H9.Sn/c1-8-5-2-3-6-4-7-5;3*1-3-4-2;/h2,4H,1H3;3*1,3-4H2,2H3
• InChIKey: JBHIRGVWJOTFFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-(tributylstannyl)pyrimidine
• IUPAC Traditional name: 4-methoxy-6-(tributylstannyl)pyrimidine
• Synonyms: 6-METHOXY-4-(TRIBUTYLSTANNYL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 4.1256776
• LogD (pH = 7.4): 4.141988
• Log P: 4.1422
• Molar Refractivity: 87.6445 cm^3
• Polarizability: 38.527092 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%