sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate

C5H3N2NaO4 — CID 23683036

IUPACsodium 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Na+]
InChIInChI=1S/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKeyZTHMWDSJKLNDTE-UHFFFAOYSA-M
MW178.08 g/mol
LogP-5.57
Rot. Bonds1

About sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate

sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate (PubChem CID 23683036) has the molecular formula C5H3N2NaO4 and a molecular weight of 178.08 g/mol. Its IUPAC name is sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate.

Molecular Properties

Compound Namesodium 2,4-dioxo-1H-pyrimidine-6-carboxylate
PubChem CID23683036
Molecular FormulaC5H3N2NaO4
Molecular Weight178.08 g/mol
Exact Mass178.00
IUPAC Namesodium 2,4-dioxo-1H-pyrimidine-6-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Na+]
InChIInChI=1S/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1
InChIKeyZTHMWDSJKLNDTE-UHFFFAOYSA-M
XLogP-5.57
TPSA105.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 5-5.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The IUPAC name of sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate (CID 23683036) is sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate.
What is the SMILES notation for sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The canonical SMILES for sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate is O=C([O-])c1cc(=O)[nH]c(=O)[nH]1.[Na+].
What is the InChIKey of sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
The InChIKey is ZTHMWDSJKLNDTE-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O4.Na/c8-3-1-2(4(9)10)6-5(11)7-3;/h1H,(H,9,10)(H2,6,7,8,11);/q;+1/p-1.
What are the key properties of sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate?
sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate has a molecular weight of 178.08 g/mol, XLogP of -5.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,4-dioxo-1H-pyrimidine-6-carboxylate is sourced from PubChem (CID 23683036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).