6-(2-ethylanilino)-1H-pyrimidine-2,4-dione
Basic information
- CAS
21416-56-8- Standard SMILES
CCc1ccccc1Nc1cc(=O)[nH]c(=O)[nH]1- InChIKey
QZAABNWCKGXIFJ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 6-(2-ethylanilino)-1H-pyrimidine-2,4-dione
- IUPAC
- 6-(2-ethylanilino)-1H-pyrimidine-2,4-dione
Names & synonyms
NSC21050621416-56-8CHEMBL125891DTXSID00308972NSC-2105066-(2-Ethylanilino)pyrimidine-2,4(1H,3H)-dione
Database identifiers
- CAS
21416-56-8- PubChem CID
- 308651
- DTXSID
DTXSID00308972- ChEMBL
CHEMBL125891
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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