Basic information
- CAS
14167-72-7- Standard SMILES
C=CCN1C(=O)NC(=O)C(CC)(c2ccccc2)C1=O- InChIKey
YQXRJLHVCIHNEG-UHFFFAOYSA-N- Molecular formula
- C15H16N2O3
- Average molar mass
- 272.3 g/mol
- Monoisotopic mass
- 272.11609238
Names & identifiers
- Preferred name
- 5-Ethyl-6-hydroxy-5-phenyl-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
- IUPAC
- 5-ethyl-5-phenyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
- English name
- 1-Allyl-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
- Molecular weight
- 0
Names & synonyms
14167-72-7DTXSID909311575-Ethyl-6-hydroxy-5-phenyl-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dioneRefChem:1072910DTXCID401359872N-Allylphenobarbital1-Allyl-5-ethyl-5-phenylbarbituric acidBRN 0276566BARBITURIC ACID, 1-ALLYL-5-ETHYL-5-PHENYL-1-Allyl-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione5-ethyl-5-phenyl-1-prop-2-enyl-1,3-diazinane-2,4,6-trione5-Ethyl-5-phenyl-1-(2-propenyl)barbituric acid
Database identifiers
- CAS
14167-72-7- PubChem CID
- 26520
- DTXSID
DTXSID90931157- Nikkaji
- J54.715H
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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