5-Butyl-5-ethyl-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
Basic information
- CAS
67050-28-6- Standard SMILES
CCCCC1(CC)C(=O)NC(=O)N(c2ccccc2)C1=O- InChIKey
ZGHDFVVXOYKDBZ-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- 5-Butyl-5-ethyl-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dione
- IUPAC
- 5-butyl-5-ethyl-1-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Butyl-5-ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C16H20N2O3
- Molecular weight
- 288.34
Names & synonyms
67050-28-6DTXSID009860375-Butyl-5-ethyl-6-hydroxy-3-phenylpyrimidine-2,4(3H,5H)-dioneRefChem:1072760DTXCID1014132255-Butyl-5-ethyl-1-phenylbarbituric acidBARBITURIC ACID, 5-BUTYL-5-ETHYL-1-PHENYL-5-Butyl-5-ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-ethyl-1-phenyl-
Database identifiers
- CAS
67050-28-6- PubChem CID
- 49180
- DTXSID
DTXSID00986037- Nikkaji
- J93.542E
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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