Barbituric acid, 5-hexyl-5-phenyl-
Basic information
- CAS
67051-21-2- Standard SMILES
CCCCCCC1(c2ccccc2)C(=O)NC(=O)NC1=O- InChIKey
LWBGXTORWSRDHX-UHFFFAOYSA-N- Molecular formula
- C16H20N2O3
- Average molar mass
- 288.34 g/mol
- Monoisotopic mass
- 288.1473925
Names & identifiers
- Preferred name
- Barbituric acid, 5-hexyl-5-phenyl-
- IUPAC
- 5-hexyl-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- 5-Hexyl-5-phenylhexahydropyrimidine-2,4,6-trione
- Molecular weight
- 0
Names & synonyms
BARBITURIC ACID, 5-HEXYL-5-PHENYL-67051-21-2DTXSID20217355RefChem:1077699DTXCID20139846CHEMBL1730755-Hexyl-5-phenylbarbituric acidBRN 02979565-hexyl-5-phenyl-1,3-diazinane-2,4,6-trione5-Hexyl-5-phenyl-pyrimidine-2,4,6-trione4-24-00-02103 (Beilstein Handbook Reference)5-hexyl-5-phenyl barbituric acid
Show more names
5-Hexyl-5-phenylhexahydropyrimidine-2,4,6-trione5-Hexyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
BDBM50099125PD182595
Database identifiers
- CAS
67051-21-2- PubChem CID
- 49292
- DTXSID
DTXSID20217355- ChEMBL
CHEMBL173075- Nikkaji
- J105.664F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 75.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 394
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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