Basic information
- CAS
37120-83-5- Standard SMILES
CCC[C@@]1(c2ccccc2)C(=O)NC(=O)N(C)C1=O- InChIKey
ZPEFWBKTKHZGQU-CQSZACIVSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Names & identifiers
- Preferred name
- (5R)-1-methyl-5-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
- IUPAC
- (5R)-1-methyl-5-phenyl-5-propyl-1,3-diazinane-2,4,6-trione
Names & synonyms
37120-83-5(5R)-1-methyl-5-phenyl-5-propyl-1,3-diazinane-2,4,6-trione(-)-1-Methyl-5-phenyl-5-propylbarbituric acid(R)-Propyl barbituric acidR-(-)-1-Methyl-5-phenyl-5-propylbarbituric acidDTXSID801906152,4,6(1H,3H,5H)-Pyrimidinetrione, 1-methyl-5-phenyl-5-propyl-, (R)-(r)(-)-methyl-phenyl-propyl-barbiturate
Database identifiers
- CAS
37120-83-5- PubChem CID
- 181512
- DTXSID
DTXSID80190615- Nikkaji
- J662.735H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 66.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 401
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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