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

C9H11N3O3 — CID 7461084

IUPAC5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\C1CC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H11N3O3/c1-4(10-5-2-3-5)6-7(13)11-9(15)12-8(6)14/h5-6H,2-3H2,1H3,(H2,11,12,13,14,15)/b10-4+
InChIKeyHBBQAQTWMDYLED-ONNFQVAWSA-N
MW209.20 g/mol
LogP-0.41
Rot. Bonds2

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

5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7461084) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
PubChem CID7461084
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESC/C(=N\C1CC1)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H11N3O3/c1-4(10-5-2-3-5)6-7(13)11-9(15)12-8(6)14/h5-6H,2-3H2,1H3,(H2,11,12,13,14,15)/b10-4+
InChIKeyHBBQAQTWMDYLED-ONNFQVAWSA-N
XLogP-0.41
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.41
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-Ethanimidoyl-1,3-diazinane-2,4,6-trione
CID 122496373
5-[[(2S)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 6924062
5-(Butyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029609
5-[[(2R)-butan-2-yl]iminomethyl]-1,3-diazinane-2,4,6-trione
CID 7029620
5-(Cyclopropyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7048930
5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7336448
2-[1-(2,4,6-Trioxo-1,3-diazinan-5-yl)ethylideneamino]acetate
CID 7365203
Dimethyl-[3-[1-(2,4,6-trioxo-1,3-diazinan-5-yl)ethylideneamino]propyl]azanium
CID 7461047
5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461048
5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7461837
(5S)-1-butyl-5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
CID 7461848
(5R)-1-butyl-5-[N-[3-(dimethylamino)propyl]-C-methylcarbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 7461983

Frequently Asked Questions

What is the IUPAC name of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (CID 7461084) is 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is C/C(=N\C1CC1)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is HBBQAQTWMDYLED-ONNFQVAWSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-4(10-5-2-3-5)6-7(13)11-9(15)12-8(6)14/h5-6H,2-3H2,1H3,(H2,11,12,13,14,15)/b10-4+.
What are the key properties of 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 209.20 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(N-cyclopropyl-C-methylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7461084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).