2-methoxy-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrimidine

• ChemBase ID: 800728
• Molecular Formular: C12H19BN2O3
• Molecular Mass: 250.10186
• Monoisotopic Mass: 250.14887288
• SMILES: O1B(OC(C1(C)C)(C)C)Cc1cnc(nc1)OC
• Canonical SMILES: COc1ncc(cn1)CB1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C12H19BN2O3/c1-11(2)12(3,4)18-13(17-11)6-9-7-14-10(16-5)15-8-9/h7-8H,6H2,1-5H3
• InChIKey: RXBMHVFPWSMDLW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrimidine
• IUPAC Traditional name: 2-methoxy-5-[(tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pyrimidine
• Synonyms: 2-(2-METHOXYPYRIMIDIN-5-YLMETHYL)-4,4,5,5-TETRAMETHYL-[1,3,2]DIOXABOROLANE

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.150492
• LogD (pH = 7.4): 2.1504998
• Log P: 2.1505
• Molar Refractivity: 63.7876 cm^3
• Polarizability: 26.603937 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%