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

C8H10N2O3 — CID 18410274

IUPAC2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid
SMILESCc1ncnc(C)c1OCC(=O)O
InChIInChI=1S/C8H10N2O3/c1-5-8(13-3-7(11)12)6(2)10-4-9-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyCSXLDDUWVIULLX-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.56
Rot. Bonds3

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

2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid (PubChem CID 18410274) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid
PubChem CID18410274
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid
SMILESCc1ncnc(C)c1OCC(=O)O
InChIInChI=1S/C8H10N2O3/c1-5-8(13-3-7(11)12)6(2)10-4-9-5/h4H,3H2,1-2H3,(H,11,12)
InChIKeyCSXLDDUWVIULLX-UHFFFAOYSA-N
XLogP0.56
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid?
The IUPAC name of 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid (CID 18410274) is 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid.
What is the SMILES notation for 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid?
The canonical SMILES for 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid is Cc1ncnc(C)c1OCC(=O)O.
What is the InChIKey of 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid?
The InChIKey is CSXLDDUWVIULLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-8(13-3-7(11)12)6(2)10-4-9-5/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid?
2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid has a molecular weight of 182.18 g/mol, XLogP of 0.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylpyrimidin-5-yl)oxyacetic acid is sourced from PubChem (CID 18410274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).