Pyrimidine-2,5-diol
Basic information
- CAS
4874-29-7- Standard SMILES
O=c1ncc(O)c[nH]1- InChIKey
QIPKQEKUQASMNI-UHFFFAOYSA-N- Molecular formula
- C4H4N2O2
- Average molar mass
- 112.09 g/mol
- Monoisotopic mass
- 112.02727738
Names & identifiers
- Preferred name
- Pyrimidine-2,5-diol
- IUPAC
- 5-hydroxy-1H-pyrimidin-2-one
- English name
- 2(1H)-Pyrimidinone, 5-hydroxy- (9CI)
- Molecular formula
- C4H4N2O2
- Molecular weight
- 112.09
Names & synonyms
Pyrimidine-2,5-diol4874-29-72,5-PyrimidinediolIsouracil5-hydroxy-1H-pyrimidin-2-one2,5-dihydroxypyrimidineMFCD111120555-hydroxy-2(1H)-Pyrimidinone2(1H)-Pyrimidinone, 5-hydroxy-2(1H)-Pyrimidinone, 5-hydroxy- (9CI)5-hydroxy-1,2-dihydropyrimidin-2-one2-Hydroxy-5-pyrimidinol
Show more names
2,5-Dihydroxy-pyrimidin5-Hydroxypyrimidin-2(1h)-one
BBM9XJ7G7RSCHEMBL1080070SCHEMBL1442023SCHEMBL1684202SCHEMBL3424964SCHEMBL4817086DTXSID809641111,6-Dihydro-2,5-pyrimidinedione
Database identifiers
- CAS
4874-29-7- PubChem CID
- 134579
- DTXSID
DTXSID80964111- UNII
- BBM9XJ7G7R
- Nikkaji
- J1.789.877I
Properties
Computed structural properties
- XLogP
- -0.9
- Topological polar surface area
- 61.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 171
Physicochemical properties
- Density
- 1.55 · 1.55±0.1 g/cm3(Predicted)
- pka
- 8.49 · 8.49±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933599590
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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