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

• ChemBase ID: 801445
• Molecular Formular: C16H28Cl2N2Sn
• Molecular Mass: 438.01392
• Monoisotopic Mass: 438.06514827
• SMILES: c1c(nc(nc1Cl)Cl)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1cc(Cl)nc(n1)Cl)(CCCC)CCCC
• InChI: InChI=1S/C4HCl2N2.3C4H9.Sn/c5-3-1-2-7-4(6)8-3;3*1-3-4-2;/h1H;3*1,3-4H2,2H3
• InChIKey: CCSHGWZLCFWHFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 5.455399
• LogD (pH = 7.4): 5.4554
• Log P: 5.4554
• Molar Refractivity: 92.2325 cm^3
• Polarizability: 40.0347 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Purity: 98%