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

C14H16N2O3 — CID 9650

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IUPAC5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,17,19)
InChIKeyILORKHQGIMGDFN-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds3

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

5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 9650) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID9650
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(CC)C(=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C14H16N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,17,19)
InChIKeyILORKHQGIMGDFN-UHFFFAOYSA-N
XLogP2.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
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

Merbarone
CID 4990817
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-((4-(dimethylamino)phenyl)methylene)-
CID 74464
1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
1-(2-Fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2274725
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
1-[3-(Trifluoromethyl)phenyl]-1,3-diazinane-2,4,6-trione
CID 5189254
1-(2,4-dimethylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 6917182
1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
CID 262504
Pyrimidine-2,4,6(1H,3H,5H)-trione, 1,3-di(2-tolyl)-
CID 584018
1,3-diphenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2784952
5-Ethyl-1-phenyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 95445
N1-phenylpiperidine-1,4-dicarboxamide
CID 769265

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione (CID 9650) is 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione is CCC1(CC)C(=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is ILORKHQGIMGDFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-14(4-2)11(17)15-13(19)16(12(14)18)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3,(H,15,17,19).
What are the key properties of 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione?
5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 260.29 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 9650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).