2-Dimethylamino-pyrimidine-5-boronic acid pinacol ester

• Catalog Number: ACM1032759300-1
• Product Name: 2-Dimethylamino-pyrimidine-5-boronic acid pinacol ester
• CAS: 1032759-30-0
• Category: Boronic Esters
• IUPAC Name: N,N-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrimidin-2-amine
• Molecular Weight: 249.12g/mol
• Molecular Formula: C12H20BN3O2
• Canonical SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CN=C(N=C2)N(C)C
• InChI: InChI=1S/C12H20BN3O2/c1-11(2)12(3,4)18-13(17-11)9-7-14-10(15-8-9)16(5)6/h7-8H,1-6H3
• InChI Key: RMPRVJCNMPFBCX-UHFFFAOYSA-N
• Complexity: 286
• Covalently-Bonded Unit Count: 1
• Exact Mass: 249.164857g/mol
• Formal Charge: 0
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 18
• Monoisotopic Mass: 249.164857g/mol
• Rotatable Bond Count: 2