5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C9H13N3O3 — CID 7410880

IUPAC5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H13N3O3/c1-4-10-5-6-7(13)11(2)9(15)12(3)8(6)14/h5-6H,4H2,1-3H3/b10-5+
InChIKeyVQLTUHZTKQHGOG-BJMVGYQFSA-N
MW211.22 g/mol
LogP-0.26
Rot. Bonds2

About 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7410880) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7410880
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H13N3O3/c1-4-10-5-6-7(13)11(2)9(15)12(3)8(6)14/h5-6H,4H2,1-3H3/b10-5+
InChIKeyVQLTUHZTKQHGOG-BJMVGYQFSA-N
XLogP-0.26
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7410880) is 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is VQLTUHZTKQHGOG-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-4-10-5-6-7(13)11(2)9(15)12(3)8(6)14/h5-6H,4H2,1-3H3/b10-5+.
What are the key properties of 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 211.22 g/mol, XLogP of -0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7410880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).