2-methyl-4-(tributylstannyl)pyrimidine

• ChemBase ID: 801449
• Molecular Formular: C17H32N2Sn
• Molecular Mass: 383.15038
• Monoisotopic Mass: 384.15874303
• SMILES: c1c(nc(nc1)C)[Sn](CCCC)(CCCC)CCCC
• Canonical SMILES: CCCC[Sn](c1ccnc(n1)C)(CCCC)CCCC
• InChI: InChI=1S/C5H5N2.3C4H9.Sn/c1-5-6-3-2-4-7-5;3*1-3-4-2;/h2-3H,1H3;3*1,3-4H2,2H3
• InChIKey: ZERXKCCPNIABFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(tributylstannyl)pyrimidine
• IUPAC Traditional name: 2-methyl-4-(tributylstannyl)pyrimidine
• Synonyms: 2-METHYL-4-(TRIBUTYLSTANNYL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6156616
• LogD (pH = 7.4): 4.6194515
• Log P: 4.6195
• Molar Refractivity: 85.4922 cm^3
• Polarizability: 37.735424 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%