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

C8H10N2O3 — CID 94075183

IUPAC2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid
SMILESCc1ncnc(OCC(=O)O)c1C
InChIInChI=1S/C8H10N2O3/c1-5-6(2)9-4-10-8(5)13-3-7(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyTXPPKSOLRSZCJC-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.56
Rot. Bonds3

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

2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid (PubChem CID 94075183) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid
PubChem CID94075183
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid
SMILESCc1ncnc(OCC(=O)O)c1C
InChIInChI=1S/C8H10N2O3/c1-5-6(2)9-4-10-8(5)13-3-7(11)12/h4H,3H2,1-2H3,(H,11,12)
InChIKeyTXPPKSOLRSZCJC-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-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid?
The IUPAC name of 2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid (CID 94075183) is 2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid.
What is the SMILES notation for 2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid?
The canonical SMILES for 2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid is Cc1ncnc(OCC(=O)O)c1C.
What is the InChIKey of 2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid?
The InChIKey is TXPPKSOLRSZCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-5-6(2)9-4-10-8(5)13-3-7(11)12/h4H,3H2,1-2H3,(H,11,12).
What are the key properties of 2-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid?
2-(5,6-dimethylpyrimidin-4-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-(5,6-dimethylpyrimidin-4-yl)oxyacetic acid is sourced from PubChem (CID 94075183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).