5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione

C4H6N2O2 — CID 10678217

IUPAC5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione
SMILES[2H]C1([2H])NC(=O)NC(=O)C1([2H])[2H]
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)/i1D2,2D2
InChIKeyOIVLITBTBDPEFK-LNLMKGTHSA-N
MW118.13 g/mol
LogP-0.78
Rot. Bonds

About 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione

5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione (PubChem CID 10678217) has the molecular formula C4H6N2O2 and a molecular weight of 118.13 g/mol. Its IUPAC name is 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione
PubChem CID10678217
Molecular FormulaC4H6N2O2
Molecular Weight118.13 g/mol
Exact Mass118.07
IUPAC Name5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione
SMILES[2H]C1([2H])NC(=O)NC(=O)C1([2H])[2H]
InChIInChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)/i1D2,2D2
InChIKeyOIVLITBTBDPEFK-LNLMKGTHSA-N
XLogP-0.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.13
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione?
The IUPAC name of 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione (CID 10678217) is 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione?
The canonical SMILES for 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione is [2H]C1([2H])NC(=O)NC(=O)C1([2H])[2H].
What is the InChIKey of 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione?
The InChIKey is OIVLITBTBDPEFK-LNLMKGTHSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-2H2,(H2,5,6,7,8)/i1D2,2D2.
What are the key properties of 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione?
5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione has a molecular weight of 118.13 g/mol, XLogP of -0.78, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,6,6-tetradeuterio-1,3-diazinane-2,4-dione is sourced from PubChem (CID 10678217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).