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

C8H11N3O4 — CID 7106254

IUPAC5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCOCC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H11N3O4/c1-15-3-2-9-4-5-6(12)10-8(14)11-7(5)13/h4-5H,2-3H2,1H3,(H2,10,11,12,13,14)/b9-4+
InChIKeyBNLQTXBXNYGUAR-RUDMXATFSA-N
MW213.19 g/mol
LogP-1.31
Rot. Bonds4

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

5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7106254) has the molecular formula C8H11N3O4 and a molecular weight of 213.19 g/mol. Its IUPAC name is 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7106254
Molecular FormulaC8H11N3O4
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCOCC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C8H11N3O4/c1-15-3-2-9-4-5-6(12)10-8(14)11-7(5)13/h4-5H,2-3H2,1H3,(H2,10,11,12,13,14)/b9-4+
InChIKeyBNLQTXBXNYGUAR-RUDMXATFSA-N
XLogP-1.31
TPSA96.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 5-1.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(2-methoxyethyliminomethyl)-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

Related Compounds

5-(Methyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 122496393
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 6924062
5-(Butyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029609
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 7029620
5-(2-Methylpropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7278514
5-[(1,3-Dihydroxy-2-methylpropan-2-yl)iminomethyl]-1,3-diazinane-2,4,6-trione
CID 7335128
5-(3-Hydroxypropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7392602
(5S)-1-tert-butyl-5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7474404
5-(2-Hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7606209
5-(2,2-Dimethoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 8024857

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7106254) is 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione is COCC/N=C/C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is BNLQTXBXNYGUAR-RUDMXATFSA-N. The full InChI is InChI=1S/C8H11N3O4/c1-15-3-2-9-4-5-6(12)10-8(14)11-7(5)13/h4-5H,2-3H2,1H3,(H2,10,11,12,13,14)/b9-4+.
What are the key properties of 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 213.19 g/mol, XLogP of -1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7106254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).