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

C13H14N2O3 — CID 8271

💊View drug profile → methylphenobarbital
IUPAC5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKeyALARQZQTBTVLJV-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.04
Rot. Bonds2

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

5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 8271) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID8271
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18)
InChIKeyALARQZQTBTVLJV-UHFFFAOYSA-N
XLogP1.04
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Primidone
CID 4909
Phenobarbital
CID 4763
Pheneturide
CID 72060
Eterobarb
CID 33925
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
5-(4-Biphenylyl)-5-ethylbarbituric acid
CID 2220392
Barbexaclone
CID 71196
Barbituric acid, 5-hexyl-5-phenyl-
CID 49292
1,3-Dimethyl-5-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 81873

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 8271) is 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ALARQZQTBTVLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-13(9-7-5-4-6-8-9)10(16)14-12(18)15(2)11(13)17/h4-8H,3H2,1-2H3,(H,14,16,18).
What are the key properties of 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 246.27 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 8271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).