2-chloro-4-(tributylstannyl)pyrimidine

• ChemBase ID: 65115
• Molecular Formular: C16H29ClN2Sn
• Molecular Mass: 403.56886
• Monoisotopic Mass: 404.10412062
• SMILES: n1c(nccc1[Sn](CCCC)(CCCC)CCCC)Cl
• Canonical SMILES: CCCC[Sn](c1ccnc(n1)Cl)(CCCC)CCCC
• InChI: InChI=1S/C4H2ClN2.3C4H9.Sn/c5-4-6-2-1-3-7-4;3*1-3-4-2;/h1-2H;3*1,3-4H2,2H3
• InChIKey: RYGIFHOTRLEMGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(tributylstannyl)pyrimidine
• IUPAC Traditional name: 2-chloro-4-(tributylstannyl)pyrimidine
• Synonyms: 2-Chloro-4-(tributylstannyl)pyrimidine

Database IDs

• CAS Number: 446286-25-5
• MDL Number: MFCD16170326
• PubChem SID: 162030854
• PubChem CID: 46839953

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.5666995
• LogD (pH = 7.4): 4.5667
• Log P: 4.5667
• Molar Refractivity: 86.3664 cm^3
• Polarizability: 38.02832 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 93%; 98%