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

C7H9N3O3 — CID 7336448

IUPAC5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESC/N=C(\C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H9N3O3/c1-3(8-2)4-5(11)9-7(13)10-6(4)12/h4H,1-2H3,(H2,9,10,11,12,13)/b8-3+
InChIKeyAKFUTERNQMYTFV-FPYGCLRLSA-N
MW183.17 g/mol
LogP-0.94
Rot. Bonds1

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

5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (PubChem CID 7336448) has the molecular formula C7H9N3O3 and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
PubChem CID7336448
Molecular FormulaC7H9N3O3
Molecular Weight183.17 g/mol
Exact Mass183.06
IUPAC Name5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione
SMILESC/N=C(\C)C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H9N3O3/c1-3(8-2)4-5(11)9-7(13)10-6(4)12/h4H,1-2H3,(H2,9,10,11,12,13)/b8-3+
InChIKeyAKFUTERNQMYTFV-FPYGCLRLSA-N
XLogP-0.94
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 5-0.94
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-Ethylbarbituric acid
CID 17292
5-Ethanehydrazonoyl-1,3-diazinane-2,4,6-trione
CID 73334134
5-[(E)-C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 73334137
5-Ethanimidoyl-1,3-diazinane-2,4,6-trione
CID 122496373
5,6-dimethyl-5H-pyrimidine-2,4-dione
CID 146679254
5-[C-methyl-N-(methylamino)carbonimidoyl]-1,3-diazinane-2,4,6-trione
CID 173644640
5-Ethanehydrazonoyl-1,3-diazinane-2,4,6-trione
CID 173644646
5-(Butyliminomethyl)-1,3-diazinane-2,4,6-trione
CID 7029609
5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7336458
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

Frequently Asked Questions

What is the IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione (CID 7336448) is 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is C/N=C(\C)C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is AKFUTERNQMYTFV-FPYGCLRLSA-N. The full InChI is InChI=1S/C7H9N3O3/c1-3(8-2)4-5(11)9-7(13)10-6(4)12/h4H,1-2H3,(H2,9,10,11,12,13)/b8-3+.
What are the key properties of 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione?
5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 183.17 g/mol, XLogP of -0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(C,N-dimethylcarbonimidoyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7336448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).