2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid

C6H6N2O4 — CID 117229845

IUPAC2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESO=C(O)COc1cnc(=O)[nH]c1
InChIInChI=1S/C6H6N2O4/c9-5(10)3-12-4-1-7-6(11)8-2-4/h1-2H,3H2,(H,9,10)(H,7,8,11)
InChIKeyAULHCXXUKRAIFG-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.77
Rot. Bonds3

About 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid

2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid (PubChem CID 117229845) has the molecular formula C6H6N2O4 and a molecular weight of 170.12 g/mol. Its IUPAC name is 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid.

Molecular Properties

Compound Name2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
PubChem CID117229845
Molecular FormulaC6H6N2O4
Molecular Weight170.12 g/mol
Exact Mass170.03
IUPAC Name2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid
SMILESO=C(O)COc1cnc(=O)[nH]c1
InChIInChI=1S/C6H6N2O4/c9-5(10)3-12-4-1-7-6(11)8-2-4/h1-2H,3H2,(H,9,10)(H,7,8,11)
InChIKeyAULHCXXUKRAIFG-UHFFFAOYSA-N
XLogP-0.77
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-oxopropoxy)-1H-pyrimidin-2-one
CID 117230703
4-[(2-oxo-1H-pyrimidin-5-yl)oxy]benzoic acid
CID 115038673
5-(4-hydroxyphenoxy)-1H-pyrimidin-2-one
CID 59428055
5-(4-fluorophenoxy)-1H-pyrimidin-2-one
CID 12661833
2-oxo-1H-pyrimidine-5-carboxylic acid;hydrochloride
CID 142106869
5-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080272
2-[(5-methoxy-2-pyridinyl)oxy]acetic acid
CID 106504767
5-[2-(aminomethyl)phenoxy]-1H-pyrimidin-2-one
CID 115029947
2-[[6-(methylcarbamoyl)-3-pyridinyl]oxy]acetic acid
CID 119086981
2-[(6-ethynyl-3-pyridinyl)oxy]acetic acid
CID 155337399
2-phenoxyacetic acid;titanium
CID 174896747
2-(3-bromo-5-fluorophenoxy)acetic acid
CID 81321991

Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The IUPAC name of 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid (CID 117229845) is 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid.
What is the SMILES notation for 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The canonical SMILES for 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid is O=C(O)COc1cnc(=O)[nH]c1.
What is the InChIKey of 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
The InChIKey is AULHCXXUKRAIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O4/c9-5(10)3-12-4-1-7-6(11)8-2-4/h1-2H,3H2,(H,9,10)(H,7,8,11).
What are the key properties of 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid?
2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid has a molecular weight of 170.12 g/mol, XLogP of -0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1H-pyrimidin-5-yl)oxy]acetic acid is sourced from PubChem (CID 117229845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).