5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

C11H16N4O4 — CID 7367872

IUPAC5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/CCN2CCOCC2)C(=O)N1
InChIInChI=1S/C11H16N4O4/c16-9-8(10(17)14-11(18)13-9)7-12-1-2-15-3-5-19-6-4-15/h7-8H,1-6H2,(H2,13,14,16,17,18)/b12-7+
InChIKeyQXGDOWHXRZGWGE-KPKJPENVSA-N
MW268.27 g/mol
LogP-1.63
Rot. Bonds4

About 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione

5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7367872) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7367872
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/CCN2CCOCC2)C(=O)N1
InChIInChI=1S/C11H16N4O4/c16-9-8(10(17)14-11(18)13-9)7-12-1-2-15-3-5-19-6-4-15/h7-8H,1-6H2,(H2,13,14,16,17,18)/b12-7+
InChIKeyQXGDOWHXRZGWGE-KPKJPENVSA-N
XLogP-1.63
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-1.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7367872) is 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(/C=N/CCN2CCOCC2)C(=O)N1.
What is the InChIKey of 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is QXGDOWHXRZGWGE-KPKJPENVSA-N. The full InChI is InChI=1S/C11H16N4O4/c16-9-8(10(17)14-11(18)13-9)7-12-1-2-15-3-5-19-6-4-15/h7-8H,1-6H2,(H2,13,14,16,17,18)/b12-7+.
What are the key properties of 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 268.27 g/mol, XLogP of -1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).