5-Acetyl-1,3-diazinane-2,4,6-trione
Basic information
- CAS
58713-02-3- Standard SMILES
CC(=O)C1C(=O)NC(=O)NC1=O- InChIKey
JYCJAUHMORTXOQ-UHFFFAOYSA-N- Molecular formula
- C6H6N2O4
- Average molar mass
- 170.12 g/mol
- Monoisotopic mass
- 170.03275668
Names & identifiers
- Preferred name
- 5-Acetyl-1,3-diazinane-2,4,6-trione
- IUPAC
- 5-acetyl-1,3-diazinane-2,4,6-trione
- English name
- CBI-BB ZERO/001709
- Molecular formula
- C6H6N2O4
- Molecular weight
- 170.12
Names & synonyms
58713-02-35-acetyl-1,3-diazinane-2,4,6-trione5-acetylbarbituric acid5-acetylpyrimidine-2,4,6(1H,3H,5H)-trioneCBI-BB ZERO/0017095-acetyl-2,4,6-trioxo-1,3,5-trihydropyrimidine2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-acetyl-Barbituric acid, 5-acetyl-CHEMBL3103696SCHEMBL11388161DTXSID00344638JYCJAUHMORTXOQ-UHFFFAOYSA-N
Show more names
TIMTEC-BB SBB0018425-ACETYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE5-acetylpyrimidine-2,4,6(1{H},3{H},5{H})-trione
SBB001842STK672695AKOS001026230ST4026654ST45314898ST507494335-Acetyl-2,4,6(1H,3H,5H)-pyrimidinetrione #SR-01000514383
Database identifiers
- CAS
58713-02-3- PubChem CID
- 598441
- DTXSID
DTXSID00344638- ChEMBL
CHEMBL3103696- Nikkaji
- J1.421.965J
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 92.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 263
Physicochemical properties
- Melting point
- 296 · 296-300 °C (decomp)
- Density
- 1.426 · 1.426±0.06 g/cm3(Predicted)
- pka
- -0.15 · -0.15±0.20(Predicted)
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Related reactions
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Compound notes
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