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

C10H16N2O3 — CID 6473

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IUPAC5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeySTDBAQMTJLUMFW-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.94
Rot. Bonds4

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

5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione (PubChem CID 6473) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
PubChem CID6473
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione
SMILESCCCCC1(CC)C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15)
InChIKeySTDBAQMTJLUMFW-UHFFFAOYSA-N
XLogP0.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.94
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

Amobarbital
CID 2164
Pentobarbital
CID 4737
Barbital
CID 2294
Thiopental
CID 3000715
Butabarbital
CID 2479
5-Ethyl-5-(1-methylethyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 6455
5-Ethyl-5-hexyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 8942
Propylbarbital
CID 75192
Amylbarbital
CID 66994
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-butyl-5-(2-propenyl)-
CID 48522
5-Butyl barbituric acid
CID 74771
2,4-Diazaspiro[5.5]undecane-1,3,5-trione
CID 5843

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione (CID 6473) is 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione is CCCCC1(CC)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is STDBAQMTJLUMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-6-10(4-2)7(13)11-9(15)12-8(10)14/h3-6H2,1-2H3,(H2,11,12,13,14,15).
What are the key properties of 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione?
5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.25 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-ethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 6473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).