1-(4-Ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
251468-82-3- Standard SMILES
CCc1ccc(N2C(=O)CC(=O)NC2=O)cc1- InChIKey
YSFVAGBTVUXNBT-UHFFFAOYSA-N- Molecular formula
- C12H12N2O3
- Average molar mass
- 232.23 g/mol
- Monoisotopic mass
- 232.08479225
Names & identifiers
- Preferred name
- 1-(4-Ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 1-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione
Names & synonyms
1-(4-Ethylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione251468-82-3RefChem:2251191-(4-ethylphenyl)-1,3-diazinane-2,4,6-trione1-(4-ethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione1-(4-Ethyl-phenyl)-pyrimidine-2,4,6-trioneOprea1_0433741-(p-ethylphenyl)-barbituricMLS001206971CHEMBL1408467DTXSID801228081HMS2821G15
Show more names
STK396812AKOS000289113SMR000517754CS-0117424EU-0011774ST50265301AB00102375-01SR-01000495292
Database identifiers
- CAS
251468-82-3- PubChem CID
- 2267484
- DTXSID
DTXSID801228081- ChEMBL
CHEMBL1408467
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 346
Experimental & physicochemical properties
Solubility>34.8 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…