5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione

C11H18N4O3 — CID 7029607

IUPAC5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H18N4O3/c1-3-15(4-2)6-5-12-7-8-9(16)13-11(18)14-10(8)17/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17,18)/b12-7+
InChIKeyQWHXBQMAKGRVJY-KPKJPENVSA-N
MW254.29 g/mol
LogP-0.62
Rot. Bonds6

About 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione

5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7029607) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
PubChem CID7029607
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C11H18N4O3/c1-3-15(4-2)6-5-12-7-8-9(16)13-11(18)14-10(8)17/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17,18)/b12-7+
InChIKeyQWHXBQMAKGRVJY-KPKJPENVSA-N
XLogP-0.62
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
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-(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
2-[(1,3-Dimethyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl-diethylazanium
CID 6995289
Diethyl-[2-[(1-methyl-4,6-dioxo-2-sulfanylidene-1,3-diazinan-5-yl)methylideneamino]ethyl]azanium
CID 6995372
5-[2-(Diethylamino)ethyliminomethyl]-1-methyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6995373
5-[3-(Dimethylamino)propyliminomethyl]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 6995382
(5R)-1-butyl-5-(2-piperazine-1,4-diium-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6996805
(5R)-1-butyl-5-(2-piperazin-1-ylethyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 6996806
N-ethyl-4-[2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl]piperazin-4-ium-1-carbothioamide
CID 6998197
N-ethyl-4-[2-[(2,4,6-trioxo-1,3-diazinan-5-yl)methylideneamino]ethyl]piperazine-1-carbothioamide
CID 6998198
1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-ium-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7000999
2-[[(5R)-1-butyl-2,4,6-trioxo-1,3-diazinan-5-yl]methylideneazaniumyl]ethyl-diethylazanium
CID 7023460

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione (CID 7029607) is 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione is CCN(CC)CC/N=C/C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is QWHXBQMAKGRVJY-KPKJPENVSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-3-15(4-2)6-5-12-7-8-9(16)13-11(18)14-10(8)17/h7-8H,3-6H2,1-2H3,(H2,13,14,16,17,18)/b12-7+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione?
5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 254.29 g/mol, XLogP of -0.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7029607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).