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

C12H20N4O3 — CID 7461899

IUPAC5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCCN(C)C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H20N4O3/c1-4-8(13-6-5-7-16(2)3)9-10(17)14-12(19)15-11(9)18/h9H,4-7H2,1-3H3,(H2,14,15,17,18,19)/b13-8+
InChIKeyFEFHUBWWYUAKLF-MDWZMJQESA-N
MW268.32 g/mol
LogP-0.23
Rot. Bonds6

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

5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (PubChem CID 7461899) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
PubChem CID7461899
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\CCCN(C)C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C12H20N4O3/c1-4-8(13-6-5-7-16(2)3)9-10(17)14-12(19)15-11(9)18/h9H,4-7H2,1-3H3,(H2,14,15,17,18,19)/b13-8+
InChIKeyFEFHUBWWYUAKLF-MDWZMJQESA-N
XLogP-0.23
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Triathyl-Harnsaure
CID 129628221
5-(4-Methylpentyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029623
[(4R)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048851
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048852
[(4S)-4-[1-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]pentyl]-diethylazanium
CID 7048853
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048854
(5S)-5-(C,N-dimethylcarbonimidoyl)-1-hexyl-1,3-diazinane-2,4,6-trione
CID 7182793
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
diethyl-[(4S)-4-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]pentyl]azanium
CID 7282533
5-[N-[(2S)-5-(diethylamino)pentan-2-yl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7282534
diethyl-[(4R)-4-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]pentyl]azanium
CID 7282535

Frequently Asked Questions

What is the IUPAC name of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione (CID 7461899) is 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is CC/C(=N\CCCN(C)C)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is FEFHUBWWYUAKLF-MDWZMJQESA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-8(13-6-5-7-16(2)3)9-10(17)14-12(19)15-11(9)18/h9H,4-7H2,1-3H3,(H2,14,15,17,18,19)/b13-8+.
What are the key properties of 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione?
5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 268.32 g/mol, XLogP of -0.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).