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

C9H13N3O5 — CID 8024857

IUPAC5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCOC(C/N=C/C1C(=O)NC(=O)NC1=O)OC
InChIInChI=1S/C9H13N3O5/c1-16-6(17-2)4-10-3-5-7(13)11-9(15)12-8(5)14/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)/b10-3+
InChIKeyADBOZRIODOKGLQ-XCVCLJGOSA-N
MW243.22 g/mol
LogP-1.34
Rot. Bonds5

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

5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 8024857) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID8024857
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC Name5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCOC(C/N=C/C1C(=O)NC(=O)NC1=O)OC
InChIInChI=1S/C9H13N3O5/c1-16-6(17-2)4-10-3-5-7(13)11-9(15)12-8(5)14/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)/b10-3+
InChIKeyADBOZRIODOKGLQ-XCVCLJGOSA-N
XLogP-1.34
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-1.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7106254
5-(2,2-Dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 8024648

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 8024857) is 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione is COC(C/N=C/C1C(=O)NC(=O)NC1=O)OC.
What is the InChIKey of 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is ADBOZRIODOKGLQ-XCVCLJGOSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-16-6(17-2)4-10-3-5-7(13)11-9(15)12-8(5)14/h3,5-6H,4H2,1-2H3,(H2,11,12,13,14,15)/b10-3+.
What are the key properties of 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 243.22 g/mol, XLogP of -1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 8024857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).