2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid

C8H9ClN2O3 — CID 94077105

IUPAC2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid
SMILESCc1nc(C)c(Cl)c(OCC(=O)O)n1
InChIInChI=1S/C8H9ClN2O3/c1-4-7(9)8(11-5(2)10-4)14-3-6(12)13/h3H2,1-2H3,(H,12,13)
InChIKeyVOWVOJRHYNNFFO-UHFFFAOYSA-N
MW216.62 g/mol
LogP1.21
Rot. Bonds3

About 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid

2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid (PubChem CID 94077105) has the molecular formula C8H9ClN2O3 and a molecular weight of 216.62 g/mol. Its IUPAC name is 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid
PubChem CID94077105
Molecular FormulaC8H9ClN2O3
Molecular Weight216.62 g/mol
Exact Mass216.03
IUPAC Name2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid
SMILESCc1nc(C)c(Cl)c(OCC(=O)O)n1
InChIInChI=1S/C8H9ClN2O3/c1-4-7(9)8(11-5(2)10-4)14-3-6(12)13/h3H2,1-2H3,(H,12,13)
InChIKeyVOWVOJRHYNNFFO-UHFFFAOYSA-N
XLogP1.21
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.62
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid (CID 94077105) is 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid is Cc1nc(C)c(Cl)c(OCC(=O)O)n1.
What is the InChIKey of 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is VOWVOJRHYNNFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3/c1-4-7(9)8(11-5(2)10-4)14-3-6(12)13/h3H2,1-2H3,(H,12,13).
What are the key properties of 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid?
2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid has a molecular weight of 216.62 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,6-dimethylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 94077105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).