5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
Basic information
- CAS
730-66-5- Standard SMILES
CCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O- InChIKey
RPJARFKGODFVHL-UHFFFAOYSA-N- Molecular formula
- C14H16N2O3
- Average molar mass
- 260.29 g/mol
- Monoisotopic mass
- 260.11609238
Overview
RN given refers to unlabeled cpd
Names & identifiers
- Preferred name
- 5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
- IUPAC
- 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
- English name
- dimethylphenobarbital
- Molecular formula
- C14H16N2O3
- Molecular weight
- 260.29
Names & synonyms
Dimethylphenobarbital1,3-Dimethylphenobarbital730-66-5DTXSID902232815-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrioneN,N-dimethylphenobarbitalRefChem:913353DTXCID901457721,3-Dimethylphenobarbitone5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trioneN,N'-Dimethylphenobarbital1,3-Dimethyl-5-ethyl-5-phenylbarbituric acid
Show more names
1,3-Dimethyl-5-ethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-1,3-dimethyl-5-phenyl-
MLS000532164BARBITURIC ACID, 1,3-DIMETHYL-5-ETHYL-5-PHENYL-SMR0001371052,4,6(1H,3H,5H)-Pyrimidinetrione, 1,3-dimethyl-5-ethyl-5-phenyl-BRN 0268343DIMETHYL PHENOBARBITALMephobarbital MePhenobarbital, permethyl
Database identifiers
- CAS
730-66-5- PubChem CID
- 12897
- DTXSID
DTXSID90223281- ChEMBL
CHEMBL1349710
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 57.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 389
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Chemistry & industry
Applications
UsesA labelled metabolite of Phenobarbital
UsesA metabolite of Phenobarbital
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Related reactions
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Compound notes
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