6-Hydroxypyrimidine-2,4(1H,3H)-dione
Basic information
- CAS
223674-01-9- Standard SMILES
O=c1cc(O)[nH]c(=O)[nH]1- InChIKey
GWEJPUMJAQFCBN-UHFFFAOYSA-N- Molecular formula
- C4H4N2O3
- Average molar mass
- 128.09 g/mol
- Monoisotopic mass
- 128.02219199
Names & identifiers
- Preferred name
- 6-Hydroxypyrimidine-2,4(1H,3H)-dione
- IUPAC
- 6-hydroxy-1H-pyrimidine-2,4-dione
- English name
- 2,4,6-Pyrimidinetriol (9CI)
- Molecular formula
- C4H4N2O3
- Molecular weight
- 128.09
Names & synonyms
223674-01-96-Hydroxypyrimidine-2,4(1H,3H)-dioneDTXSID40333602RefChem:308608DTXCID102846922,4,6-PyrimidinetriolPyrimidine-2,4,6-triol6-hydroxy-1H-pyrimidine-2,4-dionedihydroxypyrimidoneSCHEMBL127131CHEMBL113550SCHEMBL1774205
Show more names
Barbituric Acid Impurity 222,4,6-Pyrimidinetriol (9CI)
SCHEMBL9831381BDBM50298785AKOS002337368AKOS015856444223673-88-9DB-268909DB-329594CS-0312182
Database identifiers
- CAS
223674-01-9- PubChem CID
- 513624
- DTXSID
DTXSID40333602- ChEMBL
CHEMBL113550- Nikkaji
- J600.372I
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 78.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 237.47 °C · 237.47°C (rough estimate)
- Density
- 1.6006 · 1.6006 (rough estimate)
- refractive index
- 1.461 · 1.4610 (estimate)
- pka
- 7.09 · 7.09±0.10(Predicted)
- Water Solubility
- 6.62 g/L · 6.62g/L(20 ºC)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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