1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione

C6H8N2O3 — CID 176850748

IUPAC1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione
SMILES[2H]C([2H])([2H])N1C(=O)CC(=O)N(C([2H])([2H])[2H])C1=O
InChIInChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3/i1D3,2D3
InChIKeyVVSASNKOFCZVES-WFGJKAKNSA-N
MW162.18 g/mol
LogP-0.57
Rot. Bonds2

About 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione

1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 176850748) has the molecular formula C6H8N2O3 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione
PubChem CID176850748
Molecular FormulaC6H8N2O3
Molecular Weight162.18 g/mol
Exact Mass162.09
IUPAC Name1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione
SMILES[2H]C([2H])([2H])N1C(=O)CC(=O)N(C([2H])([2H])[2H])C1=O
InChIInChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3/i1D3,2D3
InChIKeyVVSASNKOFCZVES-WFGJKAKNSA-N
XLogP-0.57
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 5-0.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione (CID 176850748) is 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione is [2H]C([2H])([2H])N1C(=O)CC(=O)N(C([2H])([2H])[2H])C1=O.
What is the InChIKey of 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is VVSASNKOFCZVES-WFGJKAKNSA-N. The full InChI is InChI=1S/C6H8N2O3/c1-7-4(9)3-5(10)8(2)6(7)11/h3H2,1-2H3/i1D3,2D3.
What are the key properties of 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione?
1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 162.18 g/mol, XLogP of -0.57, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trideuteriomethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 176850748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).