6-bromo-2-(4-methylpiperazin-1-yl)pyridin-3-amine

• ChemBase ID: 114025
• Molecular Formular: C10H15BrN4
• Molecular Mass: 271.1569
• Monoisotopic Mass: 270.0480085
• SMILES: c1(nc(ccc1N)Br)N1CCN(CC1)C
• Canonical SMILES: CN1CCN(CC1)c1nc(Br)ccc1N
• InChI: InChI=1S/C10H15BrN4/c1-14-4-6-15(7-5-14)10-8(12)2-3-9(11)13-10/h2-3H,4-7,12H2,1H3
• InChIKey: KWHHHAKDQGAGRV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-2-(4-methylpiperazin-1-yl)pyridin-3-amine
• IUPAC Traditional name: 6-bromo-2-(4-methylpiperazin-1-yl)pyridin-3-amine
• Synonyms: 6-bromo-2-(4-methylpiperazin-1-yl)pyridin-3-amine

Database IDs

• MDL Number: MFCD20486711
• PubChem SID: 162098949
• PubChem CID: 15833251

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.44169402
• LogD (pH = 7.4): 1.151009
• Log P: 1.450543
• Molar Refractivity: 67.8587 cm^3
• Polarizability: 24.565567 Å^3
• Polar Surface Area: 45.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%