5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C6H8N2O5 — CID 1201402

IUPAC5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C(O)(O)C1=O
InChIInChI=1S/C6H8N2O5/c1-7-3(9)6(12,13)4(10)8(2)5(7)11/h12-13H,1-2H3
InChIKeyQYIATEHJKKPHTE-UHFFFAOYSA-N
MW188.14 g/mol
LogP-2.28
Rot. Bonds

About 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 1201402) has the molecular formula C6H8N2O5 and a molecular weight of 188.14 g/mol. Its IUPAC name is 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID1201402
Molecular FormulaC6H8N2O5
Molecular Weight188.14 g/mol
Exact Mass188.04
IUPAC Name5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCN1C(=O)N(C)C(=O)C(O)(O)C1=O
InChIInChI=1S/C6H8N2O5/c1-7-3(9)6(12,13)4(10)8(2)5(7)11/h12-13H,1-2H3
InChIKeyQYIATEHJKKPHTE-UHFFFAOYSA-N
XLogP-2.28
TPSA98.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.14
LogP ≤ 5-2.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 1201402) is 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CN1C(=O)N(C)C(=O)C(O)(O)C1=O.
What is the InChIKey of 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is QYIATEHJKKPHTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O5/c1-7-3(9)6(12,13)4(10)8(2)5(7)11/h12-13H,1-2H3.
What are the key properties of 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 188.14 g/mol, XLogP of -2.28, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dihydroxy-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 1201402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).