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

• ChemBase ID: 810516
• Molecular Formular: C11H16BClN2O2
• Molecular Mass: 254.52094
• Monoisotopic Mass: 254.09933584
• SMILES: CC1(C)OB(OC1(C)C)c1cc(nc(n1)C)Cl
• Canonical SMILES: Clc1cc(nc(n1)C)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C11H16BClN2O2/c1-7-14-8(6-9(13)15-7)12-16-10(2,3)11(4,5)17-12/h6H,1-5H3
• InChIKey: JMLZQCGQUZGPCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chloro-2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• IUPAC Traditional name: 4-chloro-2-methyl-6-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidine
• Synonyms: 6-CHLORO-2-METHYLPYRIMIDINE-4-BORONIC ACID PINACOL ESTER

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 4.2776995
• LogD (pH = 7.4): 4.2777
• Log P: 4.2777
• Molar Refractivity: 63.1814 cm^3
• Polarizability: 25.943777 Å^3
• Polar Surface Area: 44.24 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%