2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

• ChemBase ID: 802043
• Molecular Formular: C11H17BN2O2
• Molecular Mass: 220.07588
• Monoisotopic Mass: 220.13830819
• SMILES: c1c(nc(nc1)C)B1OC(C(O1)(C)C)(C)C
• Canonical SMILES: Cc1nccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O2/c1-8-13-7-6-9(14-8)12-15-10(2,3)11(4,5)16-12/h6-7H,1-5H3
• InChIKey: XRVMTYLIMODPMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• IUPAC Traditional name: 2-methyl-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• Synonyms: 2-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.3889968
• LogD (pH = 7.4): 3.389
• Log P: 3.389
• Molar Refractivity: 57.3153 cm^3
• Polarizability: 23.983555 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%