5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C13H22N4O3 — CID 7369451

IUPAC5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCN(C)C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H22N4O3/c1-6-9(14-7-8-15(2)3)10-11(18)16(4)13(20)17(5)12(10)19/h10H,6-8H2,1-5H3/b14-9+
InChIKeyCRAWBYYADASBND-NTEUORMPSA-N
MW282.34 g/mol
LogP0.07
Rot. Bonds5

About 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7369451) has the molecular formula C13H22N4O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7369451
Molecular FormulaC13H22N4O3
Molecular Weight282.34 g/mol
Exact Mass282.17
IUPAC Name5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCN(C)C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C13H22N4O3/c1-6-9(14-7-8-15(2)3)10-11(18)16(4)13(20)17(5)12(10)19/h10H,6-8H2,1-5H3/b14-9+
InChIKeyCRAWBYYADASBND-NTEUORMPSA-N
XLogP0.07
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
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

1,3-Dimethyl-5-(4-methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029525
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048852
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048854
Diethyl-[2-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]ethyl]azanium
CID 7252758
5-[N-[2-(diethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7252759
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7282534
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7282536
5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7336458
5-[C-ethyl-N-(2-hydroxyethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7358786
5-[C-ethyl-N-(2-piperidin-1-ium-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7364534
5-[C-ethyl-N-(2-piperidin-1-ylethyl)carbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7364535
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7365686

Frequently Asked Questions

What is the IUPAC name of 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7369451) is 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CC/C(=N\CCN(C)C)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is CRAWBYYADASBND-NTEUORMPSA-N. The full InChI is InChI=1S/C13H22N4O3/c1-6-9(14-7-8-15(2)3)10-11(18)16(4)13(20)17(5)12(10)19/h10H,6-8H2,1-5H3/b14-9+.
What are the key properties of 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 282.34 g/mol, XLogP of 0.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[2-(dimethylamino)ethyl]-C-ethylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7369451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).