sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate

C6H7N2NaO3 — CID 174680925

IUPACsodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]cn1.[H-].[Na+]
InChIInChI=1S/C6H6N2O3.Na.H/c1-4(9)11-6-2-5(10)7-3-8-6;;/h2-3H,1H3,(H,7,8,10);;/q;+1;-1
InChIKeyVVIDKRGUJQEYOI-UHFFFAOYSA-N
MW178.12 g/mol
LogP-3.19
Rot. Bonds1

About sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate

sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate (PubChem CID 174680925) has the molecular formula C6H7N2NaO3 and a molecular weight of 178.12 g/mol. Its IUPAC name is sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate.

Molecular Properties

Compound Namesodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate
PubChem CID174680925
Molecular FormulaC6H7N2NaO3
Molecular Weight178.12 g/mol
Exact Mass178.04
IUPAC Namesodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate
SMILESCC(=O)Oc1cc(=O)[nH]cn1.[H-].[Na+]
InChIInChI=1S/C6H6N2O3.Na.H/c1-4(9)11-6-2-5(10)7-3-8-6;;/h2-3H,1H3,(H,7,8,10);;/q;+1;-1
InChIKeyVVIDKRGUJQEYOI-UHFFFAOYSA-N
XLogP-3.19
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.12
LogP ≤ 5-3.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate?
The IUPAC name of sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate (CID 174680925) is sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate.
What is the SMILES notation for sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate?
The canonical SMILES for sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate is CC(=O)Oc1cc(=O)[nH]cn1.[H-].[Na+].
What is the InChIKey of sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate?
The InChIKey is VVIDKRGUJQEYOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3.Na.H/c1-4(9)11-6-2-5(10)7-3-8-6;;/h2-3H,1H3,(H,7,8,10);;/q;+1;-1.
What are the key properties of sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate?
sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate has a molecular weight of 178.12 g/mol, XLogP of -3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;(6-oxo-1H-pyrimidin-4-yl) acetate is sourced from PubChem (CID 174680925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).