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

C5H3N2NaO3 — CID 137251006

IUPACsodium 6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]cn1.[Na+]
InChIInChI=1S/C5H4N2O3.Na/c8-4-1-3(5(9)10)6-2-7-4;/h1-2H,(H,9,10)(H,6,7,8);/q;+1/p-1
InChIKeyCIYJNPSTCFWKMJ-UHFFFAOYSA-M
MW162.08 g/mol
LogP-4.86
Rot. Bonds1

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

sodium 6-oxo-1H-pyrimidine-4-carboxylate (PubChem CID 137251006) has the molecular formula C5H3N2NaO3 and a molecular weight of 162.08 g/mol. Its IUPAC name is sodium 6-oxo-1H-pyrimidine-4-carboxylate.

Molecular Properties

Compound Namesodium 6-oxo-1H-pyrimidine-4-carboxylate
PubChem CID137251006
Molecular FormulaC5H3N2NaO3
Molecular Weight162.08 g/mol
Exact Mass162.00
IUPAC Namesodium 6-oxo-1H-pyrimidine-4-carboxylate
SMILESO=C([O-])c1cc(=O)[nH]cn1.[Na+]
InChIInChI=1S/C5H4N2O3.Na/c8-4-1-3(5(9)10)6-2-7-4;/h1-2H,(H,9,10)(H,6,7,8);/q;+1/p-1
InChIKeyCIYJNPSTCFWKMJ-UHFFFAOYSA-M
XLogP-4.86
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.08
LogP ≤ 5-4.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 6-oxo-1H-pyrimidine-4-carboxylate?
The IUPAC name of sodium 6-oxo-1H-pyrimidine-4-carboxylate (CID 137251006) is sodium 6-oxo-1H-pyrimidine-4-carboxylate.
What is the SMILES notation for sodium 6-oxo-1H-pyrimidine-4-carboxylate?
The canonical SMILES for sodium 6-oxo-1H-pyrimidine-4-carboxylate is O=C([O-])c1cc(=O)[nH]cn1.[Na+].
What is the InChIKey of sodium 6-oxo-1H-pyrimidine-4-carboxylate?
The InChIKey is CIYJNPSTCFWKMJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H4N2O3.Na/c8-4-1-3(5(9)10)6-2-7-4;/h1-2H,(H,9,10)(H,6,7,8);/q;+1/p-1.
What are the key properties of sodium 6-oxo-1H-pyrimidine-4-carboxylate?
sodium 6-oxo-1H-pyrimidine-4-carboxylate has a molecular weight of 162.08 g/mol, XLogP of -4.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 6-oxo-1H-pyrimidine-4-carboxylate is sourced from PubChem (CID 137251006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).