Molecule ID: 25245586

IUPAC Name: [(4-amino-2-methylpyrimidin-5-yl)methoxy-oxidophosphoryl] phosphate

Description: The molecule is trianion of 4-amino-2-methyl-5-diphosphooxymethylpyrimidine arising from deprotonation of the diphosphate OH groups; 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-diphosphooxymethylpyrimidine.

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

SELFIES: [C][C][=N][C][=C][Branch2][Ring1][Ring1][C][O][P][=Branch1][C][=O][Branch1][C][O-1][O][P][=Branch1][C][=O][Branch1][C][O-1][O-1][C][=Branch1][C][=N][NH1][Ring1][P]

InChI: InChI=1S/C6H11N3O7P2/c1-4-8-2-5(6(7)9-4)3-15-18(13,14)16-17(10,11)12/h2H,3H2,1H3,(H,13,14)(H2,7,8,9)(H2,10,11,12)/p-3

Molecular Properties:
- Polar Surface Area: 174.0 Ų
- LogP: -3.1