Molecule ID: 216

IUPAC Name: (4-amino-2-methylpyrimidin-5-yl)methyl dihydrogen phosphate

Description: The molecule is an aminopyrimidine having the amino group at the 4-position together with methyl and phosphooxymethyl groups at the 2- and 5-positions respectively. It has a role as an Escherichia coli metabolite. It is a monoalkyl phosphate and an aminopyrimidine. It is a conjugate acid of a 4-amino-2-methyl-5-phosphonatooxymethylpyrimidine(2-).

SMILES: Cc1ncc(COP(=O)(O)O)c(=N)[nH]1

SELFIES: [C][C][=N][C][=C][Branch1][O][C][O][P][=Branch1][C][=O][Branch1][C][O][O][C][=Branch1][C][=N][NH1][Ring1][=N]

InChI: InChI=1S/C6H10N3O4P/c1-4-8-2-5(6(7)9-4)3-13-14(10,11)12/h2H,3H2,1H3,(H2,7,8,9)(H2,10,11,12)

Molecular Properties:
- Polar Surface Area: 119.0 Ų
- LogP: -1.7