2-chloro-4-(trimethylstannyl)pyrimidine

• ChemBase ID: 801842
• Molecular Formular: C7H11ClN2Sn
• Molecular Mass: 277.32964
• Monoisotopic Mass: 277.96327004
• SMILES: c1c(nc(nc1)Cl)[Sn](C)(C)C
• Canonical SMILES: Clc1nccc(n1)[Sn](C)(C)C
• InChI: InChI=1S/C4H2ClN2.3CH3.Sn/c5-4-6-2-1-3-7-4;;;;/h1-2H;3*1H3
• InChIKey: GFJTWZRTMHJUHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-4-(trimethylstannyl)pyrimidine
• IUPAC Traditional name: 2-chloro-4-(trimethylstannyl)pyrimidine
• Synonyms: 4-(TRIMETHYLSTANNYL)-2-CHLOROPYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.2669992
• LogD (pH = 7.4): 1.267
• Log P: 1.267
• Molar Refractivity: 44.598 cm^3
• Polarizability: 21.691156 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%