5-(bromomethyl)-2-methylpyrimidin-4-amine

• ChemBase ID: 159860
• Molecular Formular: C6H8BrN3
• Molecular Mass: 202.05182
• Monoisotopic Mass: 200.99015927
• SMILES: c1(nc(c(cn1)CBr)N)C
• Canonical SMILES: BrCc1cnc(nc1N)C
• InChI: InChI=1S/C6H8BrN3/c1-4-9-3-5(2-7)6(8)10-4/h3H,2H2,1H3,(H2,8,9,10)
• InChIKey: QWNONVPLJDGJQR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(bromomethyl)-2-methylpyrimidin-4-amine
• IUPAC Traditional name: 5-(bromomethyl)-2-methylpyrimidin-4-amine
• Synonyms: 5-(Bromomethyl)-2-methyl-4-pyrimidinamine Hydrobromide; 4-Amino-5-(bromomethyl)-2-methylpyrimidine Dihydrobromide

Database IDs

• CAS Number: 5423-98-3
• PubChem SID: 162253995
• PubChem CID: 408390

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.2873224
• LogD (pH = 7.4): 1.082433
• Log P: 1.1150205
• Molar Refractivity: 45.211 cm^3
• Polarizability: 16.106693 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol
• Apperance: Light Beige Solid
• Melting Point: 205-210°C

Safety Information

• Storage Condition: -20°C Freezer

DETAILS

Toronto Research Chemicals - A601820

A pyrimidine derivative as G protein-coupled receptor kinase (GRK) inhibitor.

REFERENCES

• Bigham, E., et al.: J. Med. Chem., 35, 1399 (1992)
• Jansen, M., et al.: Biochem. Pharmacol., 47, 1067 (1992)
• Hasbi, A., et al.: J. Neurochem., 70, 2129 (1992)