Molecule ID: 25244846

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

Description: The molecule is an organophosphate oxoanion arising from deprotonation of the phosphate OH groups of 4-amino-2-methyl-5-phosphooxymethylpyrimidine; major species at pH 7.3. It has a role as a Saccharomyces cerevisiae metabolite. It is a conjugate base of a 4-amino-2-methyl-5-phosphooxymethylpyrimidine.

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-1][O-1][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)/p-2

Molecular Properties:
- Polar Surface Area: 124.0 Ų
- LogP: -1.9