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

• ChemBase ID: 802053
• Molecular Formular: C14H23BN2O2
• Molecular Mass: 262.15562
• Monoisotopic Mass: 262.18525839
• SMILES: c1c(ncnc1B1OC(C(O1)(C)C)(C)C)C(C)(C)C
• Canonical SMILES: CC1(C)OB(OC1(C)C)c1ncnc(c1)C(C)(C)C
• InChI: InChI=1S/C14H23BN2O2/c1-12(2,3)10-8-11(17-9-16-10)15-18-13(4,5)14(6,7)19-15/h8-9H,1-7H3
• InChIKey: DJMLSGDMNVYISA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.4920993
• LogD (pH = 7.4): 4.4921
• Log P: 4.4921
• Molar Refractivity: 70.9848 cm^3
• Polarizability: 29.504168 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%