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

• ChemBase ID: 804828
• Molecular Formular: C11H17BN2O3
• Molecular Mass: 236.07528
• Monoisotopic Mass: 236.13322281
• SMILES: CC1(C)OB(OC1(C)C)c1ccnc(n1)OC
• Canonical SMILES: COc1nccc(n1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H17BN2O3/c1-10(2)11(3,4)17-12(16-10)8-6-7-13-9(14-8)15-5/h6-7H,1-5H3
• InChIKey: YZKHERUJQVUHGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.8934
• LogD (pH = 7.4): 2.8934
• Log P: 2.8934
• Molar Refractivity: 59.1001 cm^3
• Polarizability: 24.759518 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%