Molecule ID: 5460202

IUPAC Name: 2-[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-methylpyridin-1-ium-3-yl]ethanol;bromide

Description: The molecule is a pyridinium salt that is 1-(4-amino-2-methylpyrimidin-5-ylmethyl)-3-(2-hydroxyethyl)-2-methylpyridinium having bromide as the counterion. It is a pyridinium salt and an organic bromide salt. It contains a pyrithiamine.

SMILES: Cc1ncc(C[n+]2cccc(CCO)c2C)c(=N)[nH]1.[Br-]

SELFIES: [C][C][=N][C][=C][Branch1][S][C][N+1][=C][C][=C][C][Branch1][Ring2][C][C][O][=C][Ring1][=Branch2][C][C][=Branch1][C][=N][NH1][Ring2][Ring1][C].[Br-1]

InChI: InChI=1S/C14H19N4O.BrH/c1-10-12(5-7-19)4-3-6-18(10)9-13-8-16-11(2)17-14(13)15;/h3-4,6,8,19H,5,7,9H2,1-2H3,(H2,15,16,17);1H/q+1;/p-1

Molecular Properties:
- Polar Surface Area: 75.9 Ų
- LogP: nan