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

C14H15N3O3 — CID 7048908

IUPAC1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCC/N=C/C1C(=O)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H15N3O3/c1-2-15-8-11-12(18)16-14(20)17(13(11)19)9-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,16,18,20)/b15-8+
InChIKeyLICOXUHZXNYAAW-OVCLIPMQSA-N
MW273.29 g/mol
LogP0.97
Rot. Bonds4

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

1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7048908) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID7048908
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione
SMILESCC/N=C/C1C(=O)NC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C14H15N3O3/c1-2-15-8-11-12(18)16-14(20)17(13(11)19)9-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,16,18,20)/b15-8+
InChIKeyLICOXUHZXNYAAW-OVCLIPMQSA-N
XLogP0.97
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5S)-1-benzyl-5-(2-piperidin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7367863
1-benzyl-5-(2-phenylethyliminomethyl)-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7474534
diethyl-[2-[[1-[(4-fluorophenyl)methyl]-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium
CID 7461090
5-[2-(diethylamino)ethyliminomethyl]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 7461091
trimethyl-[2-[[2,4,6-trioxo-1-(2-phenylethyl)-1,3-diazinan-5-yl]methylideneamino]ethyl]azanium
CID 7696720
1-benzyl-5-[[(1R)-1-phenylethyl]iminomethyl]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7461293
1-(thiophen-2-ylmethyl)-5-(thiophen-2-ylmethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6980705
(5R)-1-[(4-fluorophenyl)methyl]-5-(2-morpholin-4-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7509804
5-[3-(diethylamino)propyliminomethyl]-1-(furan-2-ylmethyl)-1,3-diazinane-2,4,6-trione
CID 7562273
(5S)-5-[[(1S,2R)-2-aminocyclohexyl]iminomethyl]-1-[(4-fluorophenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 11895710
1-benzyl-5-[C-ethyl-N-(furan-2-ylmethyl)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461133
5-(butyliminomethyl)-1-(2-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 7029545

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione (CID 7048908) is 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione is CC/N=C/C1C(=O)NC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is LICOXUHZXNYAAW-OVCLIPMQSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-2-15-8-11-12(18)16-14(20)17(13(11)19)9-10-6-4-3-5-7-10/h3-8,11H,2,9H2,1H3,(H,16,18,20)/b15-8+.
What are the key properties of 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione?
1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 273.29 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(ethyliminomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7048908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).