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

C11H17N3O5 — CID 8024648

IUPAC5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCOC(C/N=C/C1C(=O)N(C)C(=O)N(C)C1=O)OC
InChIInChI=1S/C11H17N3O5/c1-13-9(15)7(10(16)14(2)11(13)17)5-12-6-8(18-3)19-4/h5,7-8H,6H2,1-4H3/b12-5+
InChIKeyFOKSYHMHGQQCKT-LFYBBSHMSA-N
MW271.27 g/mol
LogP-0.66
Rot. Bonds5

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

5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 8024648) has the molecular formula C11H17N3O5 and a molecular weight of 271.27 g/mol. Its IUPAC name is 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID8024648
Molecular FormulaC11H17N3O5
Molecular Weight271.27 g/mol
Exact Mass271.12
IUPAC Name5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCOC(C/N=C/C1C(=O)N(C)C(=O)N(C)C1=O)OC
InChIInChI=1S/C11H17N3O5/c1-13-9(15)7(10(16)14(2)11(13)17)5-12-6-8(18-3)19-4/h5,7-8H,6H2,1-4H3/b12-5+
InChIKeyFOKSYHMHGQQCKT-LFYBBSHMSA-N
XLogP-0.66
TPSA88.51 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 5-0.66
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 8024648) is 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is COC(C/N=C/C1C(=O)N(C)C(=O)N(C)C1=O)OC.
What is the InChIKey of 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is FOKSYHMHGQQCKT-LFYBBSHMSA-N. The full InChI is InChI=1S/C11H17N3O5/c1-13-9(15)7(10(16)14(2)11(13)17)5-12-6-8(18-3)19-4/h5,7-8H,6H2,1-4H3/b12-5+.
What are the key properties of 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 271.27 g/mol, XLogP of -0.66, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethoxyethyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 8024648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).