sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate

C5H3N2NaO4 — CID 90480679

IUPACsodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
SMILESO=C([O-])c1nc(O)cc(=O)[nH]1.[Na+]
InChIInChI=1S/C5H4N2O4.Na/c8-2-1-3(9)7-4(6-2)5(10)11;/h1H,(H,10,11)(H2,6,7,8,9);/q;+1/p-1
InChIKeyVLSNHMNWXLXBPH-UHFFFAOYSA-M
MW178.08 g/mol
LogP-5.16
Rot. Bonds1

About sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate

sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate (PubChem CID 90480679) has the molecular formula C5H3N2NaO4 and a molecular weight of 178.08 g/mol. Its IUPAC name is sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Namesodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
PubChem CID90480679
Molecular FormulaC5H3N2NaO4
Molecular Weight178.08 g/mol
Exact Mass178.00
IUPAC Namesodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate
SMILESO=C([O-])c1nc(O)cc(=O)[nH]1.[Na+]
InChIInChI=1S/C5H4N2O4.Na/c8-2-1-3(9)7-4(6-2)5(10)11;/h1H,(H,10,11)(H2,6,7,8,9);/q;+1/p-1
InChIKeyVLSNHMNWXLXBPH-UHFFFAOYSA-M
XLogP-5.16
TPSA106.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 5-5.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The IUPAC name of sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate (CID 90480679) is sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The canonical SMILES for sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate is O=C([O-])c1nc(O)cc(=O)[nH]1.[Na+].
What is the InChIKey of sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
The InChIKey is VLSNHMNWXLXBPH-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O4.Na/c8-2-1-3(9)7-4(6-2)5(10)11;/h1H,(H,10,11)(H2,6,7,8,9);/q;+1/p-1.
What are the key properties of sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate?
sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate has a molecular weight of 178.08 g/mol, XLogP of -5.16, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 4-hydroxy-6-oxo-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 90480679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).