4-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine

• ChemBase ID: 802052
• Molecular Formular: C11H17BN2O3
• Molecular Mass: 236.07528
• Monoisotopic Mass: 236.13322281
• SMILES: c1c(ncnc1B1OC(C(O1)(C)C)(C)C)OC
• Canonical SMILES: COc1ncnc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O3/c1-10(2)11(3,4)17-12(16-10)8-6-9(15-5)14-7-13-8/h6-7H,1-5H3
• InChIKey: SCDRTMFMGLFMSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• IUPAC Traditional name: 4-methoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• Synonyms: 4-METHOXY-6-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PYRIMIDINE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.9116988
• LogD (pH = 7.4): 2.9117
• Log P: 2.9117
• Molar Refractivity: 59.4676 cm^3
• Polarizability: 24.75357 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%