5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

C12H12N2O3 — CID 4763

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IUPAC5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyDDBREPKUVSBGFI-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.70
Rot. Bonds2

About 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 4763) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID4763
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Name5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17)
InChIKeyDDBREPKUVSBGFI-UHFFFAOYSA-N
XLogP0.70
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

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Mephobarbital
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Pheneturide
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Eterobarb
CID 33925
Benzonal
CID 12938
Phenylethylmalonamide
CID 23611
Phenallymal
CID 8274
Phenylmethylbarbituric acid
CID 66160
Acetylpheneturide
CID 1999
5-Ethyl-1,3-dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12897

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 4763) is 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is DDBREPKUVSBGFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-7H,2H2,1H3,(H2,13,14,15,16,17).
What are the key properties of 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 232.24 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 4763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).