2-ethoxy-5-(tributylstannyl)pyrimidine

• ChemBase ID: 64232
• Molecular Formular: C18H34N2OSn
• Molecular Mass: 413.17636
• Monoisotopic Mass: 414.16930772
• SMILES: c1(ncc([Sn](CCCC)(CCCC)CCCC)cn1)OCC
• Canonical SMILES: CCCC[Sn](c1cnc(nc1)OCC)(CCCC)CCCC
• InChI: InChI=1S/C6H7N2O.3C4H9.Sn/c1-2-9-6-7-4-3-5-8-6;3*1-3-4-2;/h4-5H,2H2,1H3;3*1,3-4H2,2H3
• InChIKey: KNCOSDYXPAQHNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-ethoxy-5-(tributylstannyl)pyrimidine
• IUPAC Traditional name: 2-ethoxy-5-(tributylstannyl)pyrimidine
• Synonyms: 2-Ethoxy-5-(tributylstannyl)pyrimidine

Database IDs

• CAS Number: 1025746-10-4
• MDL Number: MFCD09025789
• PubChem SID: 162029971
• PubChem CID: 16427129

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7677755
• LogD (pH = 7.4): 3.7677996
• Log P: 3.7678
• Molar Refractivity: 91.7121 cm^3
• Polarizability: 40.361847 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95%