2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-
Basic information
- CAS
53039-86-4- Standard SMILES
CC(=O)OC1C(=O)NC(=O)NC1=O- InChIKey
SFCQPXJONKIWQK-UHFFFAOYSA-N- Molecular formula
- C6H6N2O5
- Average molar mass
- 186.12 g/mol
- Monoisotopic mass
- 186.0276713
Names & identifiers
- Preferred name
- 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-
- IUPAC
- (2,4,6-trioxo-1,3-diazinan-5-yl) acetate
Names & synonyms
Acetyldialuric acidBRN 01881622,4,6(1H,3H,5H)-Pyrimidinetrione, 5-(acetyloxy)-5-(Acetyloxy)-2,4,6(1H,3H,5H)-pyrimidinetrione53039-86-4DTXSID302010835-25-03-00270 (Beilstein Handbook Reference)RefChem:245632DTXCID301235742,4,6-TRIOXO-1,3-DIAZINAN-5-YL ACETATE
Database identifiers
- CAS
53039-86-4- PubChem CID
- 104384
- DTXSID
DTXSID30201083
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 277
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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