2-(4-methylpiperazin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine

• ChemBase ID: 804208
• Molecular Formular: C15H25BN4O2
• Molecular Mass: 304.1956
• Monoisotopic Mass: 304.20705646
• SMILES: CC1(C)OB(OC1(C)C)c1cnc(cn1)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1cnc(cn1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C15H25BN4O2/c1-14(2)15(3,4)22-16(21-14)12-10-18-13(11-17-12)20-8-6-19(5)7-9-20/h10-11H,6-9H2,1-5H3
• InChIKey: VKZBSEUNVMNPBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methylpiperazin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• IUPAC Traditional name: 2-(4-methylpiperazin-1-yl)-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazine
• Synonyms: 5-(4-METHYLPIPERAZIN-1-YL)PYRAZINE-2-BORONIC ACID PINACOL ESTER

Database IDs

• CAS Number: 1186041-98-4

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 1.024505
• LogD (pH = 7.4): 2.5232234
• Log P: 2.7395
• Molar Refractivity: 82.505 cm^3
• Polarizability: 33.36084 Å^3
• Polar Surface Area: 50.72 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%