5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione

C14H16N2O3 — CID 12897

IUPAC5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3
InChIKeyRPJARFKGODFVHL-UHFFFAOYSA-N
MW260.29 g/mol
LogP1.38
Rot. Bonds2

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

5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione (PubChem CID 12897) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
PubChem CID12897
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione
SMILESCCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3
InChIKeyRPJARFKGODFVHL-UHFFFAOYSA-N
XLogP1.38
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-ethyl-1,3-dimethyl-5-phenyl-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

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione (CID 12897) is 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione is CCC1(c2ccccc2)C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
The InChIKey is RPJARFKGODFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-4-14(10-8-6-5-7-9-10)11(17)15(2)13(19)16(3)12(14)18/h5-9H,4H2,1-3H3.
What are the key properties of 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione?
5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione has a molecular weight of 260.29 g/mol, XLogP of 1.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1,3-dimethyl-5-phenyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 12897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).