sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride

C6H7N2NaO4 — CID 174402770

IUPACsodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride
SMILESCC(=O)On1ccc(=O)[nH]c1=O.[H-].[Na+]
InChIInChI=1S/C6H6N2O4.Na.H/c1-4(9)12-8-3-2-5(10)7-6(8)11;;/h2-3H,1H3,(H,7,10,11);;/q;+1;-1
InChIKeyYMMPEJSBAXYFLB-UHFFFAOYSA-N
MW194.12 g/mol
LogP-4.37
Rot. Bonds1

About sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride

sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride (PubChem CID 174402770) has the molecular formula C6H7N2NaO4 and a molecular weight of 194.12 g/mol. Its IUPAC name is sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride.

Molecular Properties

Compound Namesodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride
PubChem CID174402770
Molecular FormulaC6H7N2NaO4
Molecular Weight194.12 g/mol
Exact Mass194.03
IUPAC Namesodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride
SMILESCC(=O)On1ccc(=O)[nH]c1=O.[H-].[Na+]
InChIInChI=1S/C6H6N2O4.Na.H/c1-4(9)12-8-3-2-5(10)7-6(8)11;;/h2-3H,1H3,(H,7,10,11);;/q;+1;-1
InChIKeyYMMPEJSBAXYFLB-UHFFFAOYSA-N
XLogP-4.37
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 5-4.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2,4-dioxopyrimidin-1-yl) acetate
CID 57007226
(2,4-dioxopyrimidin-1-yl) propanoate
CID 174912968
(2,4-dioxopyrimidin-1-yl) (2S)-2-amino-4-methylpentanoate
CID 57302297
2-(2,4-dioxopyrimidin-1-yl)ethyl acetate
CID 2058214
N-(2,4-dioxopyrimidin-1-yl)acetamide
CID 11819433
(2,4-dioxopyrimidin-1-yl) (3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolane-2-carboxylate
CID 91571819
1-hexadecoxypyrimidine-2,4-dione
CID 177191726
[(2R,3R,4R,5R)-4-acetyloxy-5-(2,4-dioxopyrimidin-1-yl)-2-methyloxolan-3-yl] acetate
CID 13323334
1-prop-1-en-2-ylpyrimidine-2,4-dione
CID 144698021
1-(5-hydroxyhexyl)pyrimidine-2,4-dione
CID 23287951
2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
CID 60699315
1-[(2,4-dioxopyrimidin-1-yl)methyl]pyrimidine-2,4-dione
CID 57209539

Frequently Asked Questions

What is the IUPAC name of sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride?
The IUPAC name of sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride (CID 174402770) is sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride.
What is the SMILES notation for sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride?
The canonical SMILES for sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride is CC(=O)On1ccc(=O)[nH]c1=O.[H-].[Na+].
What is the InChIKey of sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride?
The InChIKey is YMMPEJSBAXYFLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4.Na.H/c1-4(9)12-8-3-2-5(10)7-6(8)11;;/h2-3H,1H3,(H,7,10,11);;/q;+1;-1.
What are the key properties of sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride?
sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride has a molecular weight of 194.12 g/mol, XLogP of -4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2,4-dioxopyrimidin-1-yl) acetate;hydride is sourced from PubChem (CID 174402770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).