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

C7H9N3O4 — CID 7606209

IUPAC5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/CCO)C(=O)N1
InChIInChI=1S/C7H9N3O4/c11-2-1-8-3-4-5(12)9-7(14)10-6(4)13/h3-4,11H,1-2H2,(H2,9,10,12,13,14)/b8-3+
InChIKeyQJMYSQOUBGTXII-FPYGCLRLSA-N
MW199.17 g/mol
LogP-1.97
Rot. Bonds3

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

5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7606209) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7606209
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1NC(=O)C(/C=N/CCO)C(=O)N1
InChIInChI=1S/C7H9N3O4/c11-2-1-8-3-4-5(12)9-7(14)10-6(4)13/h3-4,11H,1-2H2,(H2,9,10,12,13,14)/b8-3+
InChIKeyQJMYSQOUBGTXII-FPYGCLRLSA-N
XLogP-1.97
TPSA107.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-1.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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
6-(2-Hydroxyethylimino)-5-methyl-1,3-diazinane-2,4-dione
CID 145920933
5-Pyrimidinecarboxaldehyde,hexahydro-2,4,6-trioxo-, 5-oxime
CID 351585
[(5R)-1-tert-butyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylidene-(1,3-dihydroxy-2-methylpropan-2-yl)azanium
CID 6984225
(5R)-1-tert-butyl-5-[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]-1,3-diazinane-2,4,6-trione
CID 6984226
2-[(2,4,6-Trioxo-1,3-diazinan-5-yl)methylideneamino]acetic acid
CID 7000657
[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylidene]azanium
CID 7057779
5-[[1,3-Dihydroxy-2-(hydroxymethyl)propan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 7057780
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-[(1,3-dihydroxy-2-methylpropan-2-yl)iminomethyl]-1,3-diazinane-2,4,6-trione
CID 7462009

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7606209) is 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione is O=C1NC(=O)C(/C=N/CCO)C(=O)N1.
What is the InChIKey of 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is QJMYSQOUBGTXII-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H9N3O4/c11-2-1-8-3-4-5(12)9-7(14)10-6(4)13/h3-4,11H,1-2H2,(H2,9,10,12,13,14)/b8-3+.
What are the key properties of 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione?
5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 199.17 g/mol, XLogP of -1.97, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7606209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).