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

C10H16N2O3 — CID 12847

IUPAC5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-5-10(6-2)7(13)11(3)9(15)12(4)8(10)14/h5-6H2,1-4H3
InChIKeyRGLAXEITJXZVAN-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.84
Rot. Bonds2

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

5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 12847) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID12847
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C10H16N2O3/c1-5-10(6-2)7(13)11(3)9(15)12(4)8(10)14/h5-6H2,1-4H3
InChIKeyRGLAXEITJXZVAN-UHFFFAOYSA-N
XLogP0.84
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 12847) is 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is RGLAXEITJXZVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-5-10(6-2)7(13)11(3)9(15)12(4)8(10)14/h5-6H2,1-4H3.
What are the key properties of 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.25 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).