5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione

C10H13N3O3 — CID 7506244

IUPAC5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\C1CC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H13N3O3/c1-2-6(11-5-3-4-5)7-8(14)12-10(16)13-9(7)15/h5,7H,2-4H2,1H3,(H2,12,13,14,15,16)/b11-6+
InChIKeyFEBGCUPDOHULPW-IZZDOVSWSA-N
MW223.23 g/mol
LogP-0.02
Rot. Bonds3

About 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione

5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7506244) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
PubChem CID7506244
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESCC/C(=N\C1CC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C10H13N3O3/c1-2-6(11-5-3-4-5)7-8(14)12-10(16)13-9(7)15/h5,7H,2-4H2,1H3,(H2,12,13,14,15,16)/b11-6+
InChIKeyFEBGCUPDOHULPW-IZZDOVSWSA-N
XLogP-0.02
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
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

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
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-diazinane-2,4,6-trione
CID 7336448
5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7461084
1-butyl-5-(C-ethyl-N-hexylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7461736
(5S)-1-butyl-5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7461848
Dimethyl-[3-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)propylideneamino]propyl]azanium
CID 7461898
5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461899
(5R)-1-butyl-5-[N-[3-(dimethylamino)propyl]-C-ethylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461934

Frequently Asked Questions

What is the IUPAC name of 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (CID 7506244) is 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is CC/C(=N\C1CC1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FEBGCUPDOHULPW-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-2-6(11-5-3-4-5)7-8(14)12-10(16)13-9(7)15/h5,7H,2-4H2,1H3,(H2,12,13,14,15,16)/b11-6+.
What are the key properties of 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 223.23 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-cyclopropyl-C-ethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7506244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).