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

• ChemBase ID: 804399
• Molecular Formular: C12H19BN2O4
• Molecular Mass: 266.10126
• Monoisotopic Mass: 266.1437875
• SMILES: CC1(C)OB(OC1(C)C)c1cc(nc(n1)OC)OC
• Canonical SMILES: COc1nc(OC)nc(c1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H19BN2O4/c1-11(2)12(3,4)19-13(18-11)8-7-9(16-5)15-10(14-8)17-6/h7H,1-6H3
• InChIKey: IIDHDKYLBVMDBH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dimethoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• IUPAC Traditional name: 2,4-dimethoxy-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• Synonyms: 2,4-DIMETHOXYPYRIMIDINE-6-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 269410-14-2

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 3.3392997
• LogD (pH = 7.4): 3.3393
• Log P: 3.3393
• Molar Refractivity: 65.8768 cm^3
• Polarizability: 27.301094 Å^3
• Polar Surface Area: 62.7 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%