2-pyrimidin-2-yloxyacetic acid

C6H6N2O3 — CID 566272

IUPAC2-pyrimidin-2-yloxyacetic acid
SMILESO=C(O)COc1ncccn1
InChIInChI=1S/C6H6N2O3/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChIKeyUYLACHNUJGRAJZ-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.06
Rot. Bonds3

About 2-pyrimidin-2-yloxyacetic acid

2-pyrimidin-2-yloxyacetic acid (PubChem CID 566272) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 2-pyrimidin-2-yloxyacetic acid.

Molecular Properties

Compound Name2-pyrimidin-2-yloxyacetic acid
PubChem CID566272
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name2-pyrimidin-2-yloxyacetic acid
SMILESO=C(O)COc1ncccn1
InChIInChI=1S/C6H6N2O3/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10)
InChIKeyUYLACHNUJGRAJZ-UHFFFAOYSA-N
XLogP-0.06
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrimidin-2-yloxyacetic acid?
The IUPAC name of 2-pyrimidin-2-yloxyacetic acid (CID 566272) is 2-pyrimidin-2-yloxyacetic acid.
What is the SMILES notation for 2-pyrimidin-2-yloxyacetic acid?
The canonical SMILES for 2-pyrimidin-2-yloxyacetic acid is O=C(O)COc1ncccn1.
What is the InChIKey of 2-pyrimidin-2-yloxyacetic acid?
The InChIKey is UYLACHNUJGRAJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c9-5(10)4-11-6-7-2-1-3-8-6/h1-3H,4H2,(H,9,10).
What are the key properties of 2-pyrimidin-2-yloxyacetic acid?
2-pyrimidin-2-yloxyacetic acid has a molecular weight of 154.12 g/mol, XLogP of -0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrimidin-2-yloxyacetic acid is sourced from PubChem (CID 566272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).