sodium pyrimidin-3-ide-2,4,6-trione

C4H3N2NaO3 — CID 23686426

IUPACsodium pyrimidin-3-ide-2,4,6-trione
SMILESO=C1CC(=O)NC(=O)[N-]1.[Na+]
InChIInChI=1S/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1/p-1
InChIKeyMHQHHBYRYFICDV-UHFFFAOYSA-M
MW150.07 g/mol
LogP-3.47
Rot. Bonds

About sodium pyrimidin-3-ide-2,4,6-trione

sodium pyrimidin-3-ide-2,4,6-trione (PubChem CID 23686426) has the molecular formula C4H3N2NaO3 and a molecular weight of 150.07 g/mol. Its IUPAC name is sodium pyrimidin-3-ide-2,4,6-trione.

Molecular Properties

Compound Namesodium pyrimidin-3-ide-2,4,6-trione
PubChem CID23686426
Molecular FormulaC4H3N2NaO3
Molecular Weight150.07 g/mol
Exact Mass150.00
IUPAC Namesodium pyrimidin-3-ide-2,4,6-trione
SMILESO=C1CC(=O)NC(=O)[N-]1.[Na+]
InChIInChI=1S/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1/p-1
InChIKeyMHQHHBYRYFICDV-UHFFFAOYSA-M
XLogP-3.47
TPSA77.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.07
LogP ≤ 5-3.47
H-Bond Donors ≤ 51
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 sodium pyrimidin-3-ide-2,4,6-trione?
The IUPAC name of sodium pyrimidin-3-ide-2,4,6-trione (CID 23686426) is sodium pyrimidin-3-ide-2,4,6-trione.
What is the SMILES notation for sodium pyrimidin-3-ide-2,4,6-trione?
The canonical SMILES for sodium pyrimidin-3-ide-2,4,6-trione is O=C1CC(=O)NC(=O)[N-]1.[Na+].
What is the InChIKey of sodium pyrimidin-3-ide-2,4,6-trione?
The InChIKey is MHQHHBYRYFICDV-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H4N2O3.Na/c7-2-1-3(8)6-4(9)5-2;/h1H2,(H2,5,6,7,8,9);/q;+1/p-1.
What are the key properties of sodium pyrimidin-3-ide-2,4,6-trione?
sodium pyrimidin-3-ide-2,4,6-trione has a molecular weight of 150.07 g/mol, XLogP of -3.47, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium pyrimidin-3-ide-2,4,6-trione is sourced from PubChem (CID 23686426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).