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

C13H22N4O3 — CID 7367958

IUPAC5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H22N4O3/c1-5-17(6-2)8-7-14-9-10-11(18)15(3)13(20)16(4)12(10)19/h9-10H,5-8H2,1-4H3/b14-9+
InChIKeyMDYFLMSCZPMFEV-NTEUORMPSA-N
MW282.34 g/mol
LogP0.07
Rot. Bonds6

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

5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7367958) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7367958
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCCN(CC)CC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H22N4O3/c1-5-17(6-2)8-7-14-9-10-11(18)15(3)13(20)16(4)12(10)19/h9-10H,5-8H2,1-4H3/b14-9+
InChIKeyMDYFLMSCZPMFEV-NTEUORMPSA-N
XLogP0.07
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 50.07
H-Bond Donors ≤ 50
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-[(E)-hydrazinylidenemethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73334133
1,3-dimethyl-5-[(E)-5H-tetrazol-5-yliminomethyl]-1,3-diazinane-2,4,6-trione
CID 76328269
1,3-dimethyl-5-(5H-tetrazol-5-yliminomethyl)-1,3-diazinane-2,4,6-trione
CID 172024333
1,3-Dimethyl-5-[2-[4-(2-methylpropanoyl)piperazin-1-yl]ethyliminomethyl]-1,3-diazinane-2,4,6-trione
CID 7001000
7,15-Dimethyl-1,5,13-triaza-9-azoniatricyclo[11.3.1.15,9]octadec-8-ene-6,16,17,18-tetrone
CID 123309118
7,15-Dimethyl-1,5-diaza-9,13-diazoniatricyclo[11.3.1.15,9]octadeca-8,13-diene-6,16,17,18-tetrone
CID 123442098
5-Methanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 173575720
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6944504
5-[2-(Diethylamino)ethyliminomethyl]-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 6995290
(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
5-(3-Chloropropyliminomethyl)-1,3-diethyl-1,3-diazinane-2,4,6-trione
CID 6999512

Frequently Asked Questions

What is the IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7367958) is 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CCN(CC)CC/N=C/C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is MDYFLMSCZPMFEV-NTEUORMPSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-5-17(6-2)8-7-14-9-10-11(18)15(3)13(20)16(4)12(10)19/h9-10H,5-8H2,1-4H3/b14-9+.
What are the key properties of 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 282.34 g/mol, XLogP of 0.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(diethylamino)ethyliminomethyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7367958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).