2,4-dimethoxy-6-(tributylstannyl)pyrimidine

• ChemBase ID: 801447
• Molecular Formular: C18H34N2O2Sn
• Molecular Mass: 429.17576
• Monoisotopic Mass: 430.16422234
• SMILES: c1c(nc(nc1OC)OC)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cc(OC)nc(n1)OC)(CCCC)CCCC
• InChI: InChI=1S/C6H7N2O2.3C4H9.Sn/c1-9-5-3-4-7-6(8-5)10-2;3*1-3-4-2;/h3H,1-2H3;3*1,3-4H2,2H3
• InChIKey: CIJHYNWOLHZIIE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-(tributylstannyl)pyrimidine
• IUPAC Traditional name: 2,4-dimethoxy-6-(tributylstannyl)pyrimidine
• Synonyms: 2,6-DIMETHOXY-4-(TRIBUTYLSTANNYL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.5656586
• LogD (pH = 7.4): 4.5697474
• Log P: 4.5698
• Molar Refractivity: 94.0537 cm^3
• Polarizability: 41.085083 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%