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

C9H13N3O3 — CID 7336458

IUPAC5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC/N=C(\C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H13N3O3/c1-5(10-2)6-7(13)11(3)9(15)12(4)8(6)14/h6H,1-4H3/b10-5+
InChIKeyWXSIYJLFLQLAEV-BJMVGYQFSA-N
MW211.22 g/mol
LogP-0.26
Rot. Bonds1

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

5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 7336458) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID7336458
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESC/N=C(\C)C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C9H13N3O3/c1-5(10-2)6-7(13)11(3)9(15)12(4)8(6)14/h6H,1-4H3/b10-5+
InChIKeyWXSIYJLFLQLAEV-BJMVGYQFSA-N
XLogP-0.26
TPSA70.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.26
H-Bond Donors ≤ 50
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

1,3-Dimethyl-5-ethylbarbituric acid
CID 23873
1,3-Dimethyl-5-isopropylbarbituric acid
CID 23821
5-Ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 73334135
1,3,4,9-Tetramethylpurine-2,6,8-trione
CID 67546830
Sodium 5-ethyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 164511805
N-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-ylidene)acetamide
CID 23506187
5-[(E)-N-methoxy-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 118548378
1,3,4-Trimethyl-8-(2-methylpropyl)purine-2,6-dione
CID 151387480
5-Ethanehydrazonoyl-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 173644644
5-(Butyliminomethyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7029494
5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 7048848
5-[N-[(2R)-5-(diethylamino)pentan-2-yl]-C-methylcarbonimidoyl]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 7048852

Frequently Asked Questions

What is the IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 7336458) is 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is C/N=C(\C)C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WXSIYJLFLQLAEV-BJMVGYQFSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-5(10-2)6-7(13)11(3)9(15)12(4)8(6)14/h6H,1-4H3/b10-5+.
What are the key properties of 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 211.22 g/mol, XLogP of -0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(C,N-dimethylcarbonimidoyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7336458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).