sodium;hydride;pyrimidine-5-carboxylic acid

C5H5N2NaO2 — CID 174431799

IUPACsodium;hydride;pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1.[H-].[Na+]
InChIInChI=1S/C5H4N2O2.Na.H/c8-5(9)4-1-6-3-7-2-4;;/h1-3H,(H,8,9);;/q;+1;-1
InChIKeyOTXLGTLARQYGHT-UHFFFAOYSA-N
MW148.10 g/mol
LogP-2.71
Rot. Bonds1

About sodium;hydride;pyrimidine-5-carboxylic acid

sodium;hydride;pyrimidine-5-carboxylic acid (PubChem CID 174431799) has the molecular formula C5H5N2NaO2 and a molecular weight of 148.10 g/mol. Its IUPAC name is sodium;hydride;pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;pyrimidine-5-carboxylic acid
PubChem CID174431799
Molecular FormulaC5H5N2NaO2
Molecular Weight148.10 g/mol
Exact Mass148.02
IUPAC Namesodium;hydride;pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1.[H-].[Na+]
InChIInChI=1S/C5H4N2O2.Na.H/c8-5(9)4-1-6-3-7-2-4;;/h1-3H,(H,8,9);;/q;+1;-1
InChIKeyOTXLGTLARQYGHT-UHFFFAOYSA-N
XLogP-2.71
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.10
LogP ≤ 5-2.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;pyrimidine-5-carboxylic acid?
The IUPAC name of sodium;hydride;pyrimidine-5-carboxylic acid (CID 174431799) is sodium;hydride;pyrimidine-5-carboxylic acid.
What is the SMILES notation for sodium;hydride;pyrimidine-5-carboxylic acid?
The canonical SMILES for sodium;hydride;pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1.[H-].[Na+].
What is the InChIKey of sodium;hydride;pyrimidine-5-carboxylic acid?
The InChIKey is OTXLGTLARQYGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O2.Na.H/c8-5(9)4-1-6-3-7-2-4;;/h1-3H,(H,8,9);;/q;+1;-1.
What are the key properties of sodium;hydride;pyrimidine-5-carboxylic acid?
sodium;hydride;pyrimidine-5-carboxylic acid has a molecular weight of 148.10 g/mol, XLogP of -2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;pyrimidine-5-carboxylic acid is sourced from PubChem (CID 174431799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).