Basic information
- CAS
66843-09-2- Standard SMILES
CCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
IXXXSPXHTGEIQP-UHFFFAOYSA-N- Molecular formula
- C15H18N2O3
- Average molar mass
- 274.31 g/mol
- Monoisotopic mass
- 274.13174244
Names & identifiers
- Preferred name
- Barbituric acid, 5-pentyl-5-phenyl-
- IUPAC
- 5-pentyl-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Pentyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- Molecular formula
- C15H18N2O3
- Molecular weight
- 274.32
Names & synonyms
5-Pentyl-5-phenylbarbituric acidBARBITURIC ACID, 5-PENTYL-5-PHENYL-66843-09-2DTXSID30216970RefChem:320865DTXCID601394615-pentyl-5-phenyl-1,3-diazinane-2,4,6-trione5-Pentyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-pentyl-5-phenyl-
Database identifiers
- CAS
66843-09-2- PubChem CID
- 48165
- DTXSID
DTXSID30216970- Nikkaji
- J105.749I
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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