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

C8H12N2O3 — CID 2294

IUPAC5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyFTOAOBMCPZCFFF-UHFFFAOYSA-N
MW184.19 g/mol
LogP0.16
Rot. Bonds2

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

5,5-diethyl-1,3-diazinane-2,4,6-trione (PubChem CID 2294) has the molecular formula C8H12N2O3 and a molecular weight of 184.19 g/mol. Its IUPAC name is 5,5-diethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1,3-diazinane-2,4,6-trione
PubChem CID2294
Molecular FormulaC8H12N2O3
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name5,5-diethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13)
InChIKeyFTOAOBMCPZCFFF-UHFFFAOYSA-N
XLogP0.16
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 50.16
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

Butabarbital
CID 2479
Metharbital
CID 4099
Butobarbital
CID 6473
5-Ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 6455
Propylbarbital
CID 75192
5,5-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione
CID 667509
5,5-Dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 90509
5,5-Diethyldihydro-6-thioxo-2,4(1H,3H)-pyrimidinedione
CID 3034182
5,5-Diethyl-1,3-dimethyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 12847
5-Ethylbarbituric acid
CID 17292
5,5-Dibutyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 28201
5-Ethyl-5-(2-methylpropyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 10822423

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1,3-diazinane-2,4,6-trione (CID 2294) is 5,5-diethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5,5-diethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FTOAOBMCPZCFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3/c1-3-8(4-2)5(11)9-7(13)10-6(8)12/h3-4H2,1-2H3,(H2,9,10,11,12,13).
What are the key properties of 5,5-diethyl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 184.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).