5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione

C9H14N2O3 — CID 4099

💊View drug profile → metharbital
IUPAC5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
InChIKeyFWJKNZONDWOGMI-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.50
Rot. Bonds2

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

5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione (PubChem CID 4099) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
PubChem CID4099
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(C)C1=O
InChIInChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14)
InChIKeyFWJKNZONDWOGMI-UHFFFAOYSA-N
XLogP0.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Barbital
CID 2294
5-Ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 6455
5,5-Diethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12847
1,3-Dimethyl-5-ethylbarbituric acid
CID 23873
Barbituric acid,5(1mebu)-5-ET-1-ME
CID 42472
Barbituric acid, 1,5-dimethyl-5-(1-methylbutyl)-
CID 48457
Barbituric acid, 5-ethyl-5-isopropenyl-1-methyl-
CID 48772
5,5-Diethyldihydropyrimidine-2,4(1h,3h)-dione
CID 239592
Probarbital Sodium
CID 23667655
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5,5-diethyl-1-((methylthio)methyl)-
CID 545007
1-Methyl-5,5-di-2-propen-1-yl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 13074
Barbituric acid, 5-tert-butyl-5-ethyl-
CID 27214

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione (CID 4099) is 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(C)C1=O.
What is the InChIKey of 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FWJKNZONDWOGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-4-9(5-2)6(12)10-8(14)11(3)7(9)13/h4-5H2,1-3H3,(H,10,12,14).
What are the key properties of 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione has a molecular weight of 198.22 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-methyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 4099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).