5-Hydroxypyrimidin-4(3H)-one
Basic information
- CAS
15837-41-9- Standard SMILES
O=c1[nH]cncc1O- InChIKey
URCOLWAKIPNTEM-UHFFFAOYSA-N- Molecular formula
- C4H4N2O2
- Average molar mass
- 112.09 g/mol
- Monoisotopic mass
- 112.02727738
Names & identifiers
- Preferred name
- 5-Hydroxypyrimidin-4(3H)-one
- IUPAC
- 5-hydroxy-1H-pyrimidin-6-one
- English name
- 5-Hydroxy-1,4-dihydropyrimidin-4-one
- Molecular formula
- C4H4N2O2
- Molecular weight
- 112.09
Names & synonyms
15837-41-95-Hydroxypyrimidin-4(3H)-oneDTXSID50329157RefChem:303479DTXCID502802595-Hydroxypyrimidin-4(1H)-one5-HYDROXY-1,4-DIHYDROPYRIMIDIN-4-ONE5-Hydroxy-4(1H)-pyrimidinone1822936-00-45-hydroxy-1H-pyrimidin-6-one4(1H)-Pyrimidinone, 5-hydroxy-MFCD11656602
Show more names
5-Hydroxypyrimidin-4(3H)5-hydroxy-4-pyrimidineone
4(3H)-Pyrimidinone, 5-hydroxy-5-hydroxy-3,4-dihydropyrimidin-4-one4(1H)-Pyrimidinone, 5-hydroxy- (9CI)4,5-dihydroxypyrimidine5-hydroxypyrimidin-4-onepyrimidine, 4,5-dihydroxy-SCHEMBL1475519SCHEMBL1684155
Database identifiers
- CAS
15837-41-9- PubChem CID
- 417875
- DTXSID
DTXSID50329157- Nikkaji
- J2.318.747G
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Melting point
- 268 · 268-269 °C (decomp)
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.47 · 8.47±0.40(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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