5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

C13H20N4O4 — CID 7461716

IUPAC5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCN1CCOCC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H20N4O4/c1-2-9(10-11(18)15-13(20)16-12(10)19)14-3-4-17-5-7-21-8-6-17/h10H,2-8H2,1H3,(H2,15,16,18,19,20)/b14-9+
InChIKeyUQUZIIHHTSXAHV-NTEUORMPSA-N
MW296.33 g/mol
LogP-0.85
Rot. Bonds5

About 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione

5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461716) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461716
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCN1CCOCC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C13H20N4O4/c1-2-9(10-11(18)15-13(20)16-12(10)19)14-3-4-17-5-7-21-8-6-17/h10H,2-8H2,1H3,(H2,15,16,18,19,20)/b14-9+
InChIKeyUQUZIIHHTSXAHV-NTEUORMPSA-N
XLogP-0.85
TPSA100.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-0.85
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-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461716) is 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is CC/C(=N\CCN1CCOCC1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is UQUZIIHHTSXAHV-NTEUORMPSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-2-9(10-11(18)15-13(20)16-12(10)19)14-3-4-17-5-7-21-8-6-17/h10H,2-8H2,1H3,(H2,15,16,18,19,20)/b14-9+.
What are the key properties of 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 296.33 g/mol, XLogP of -0.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[C-ethyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).