2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid

C6H6N2O5 — CID 21226116

IUPAC2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESO=C(O)COc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O5/c9-4(10)2-13-3-1-7-6(12)8-5(3)11/h1H,2H2,(H,9,10)(H2,7,8,11,12)
InChIKeyYSAJFXWTVFGPAX-UHFFFAOYSA-N
MW186.12 g/mol
LogP-1.47
Rot. Bonds3

About 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid

2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid (PubChem CID 21226116) has the molecular formula C6H6N2O5 and a molecular weight of 186.12 g/mol. Its IUPAC name is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid
PubChem CID21226116
Molecular FormulaC6H6N2O5
Molecular Weight186.12 g/mol
Exact Mass186.03
IUPAC Name2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESO=C(O)COc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H6N2O5/c9-4(10)2-13-3-1-7-6(12)8-5(3)11/h1H,2H2,(H,9,10)(H2,7,8,11,12)
InChIKeyYSAJFXWTVFGPAX-UHFFFAOYSA-N
XLogP-1.47
TPSA112.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.12
LogP ≤ 5-1.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid (CID 21226116) is 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid is O=C(O)COc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The InChIKey is YSAJFXWTVFGPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O5/c9-4(10)2-13-3-1-7-6(12)8-5(3)11/h1H,2H2,(H,9,10)(H2,7,8,11,12).
What are the key properties of 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid?
2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid has a molecular weight of 186.12 g/mol, XLogP of -1.47, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dioxo-1H-pyrimidin-5-yl)oxy]acetic acid is sourced from PubChem (CID 21226116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).