4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid

C11H10N2O3S — CID 66437149

IUPAC4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCc1cc(Oc2csc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C11H10N2O3S/c1-6-3-10(13-7(2)12-6)16-8-4-9(11(14)15)17-5-8/h3-5H,1-2H3,(H,14,15)
InChIKeyNUAIKTHVVTVOCA-UHFFFAOYSA-N
MW250.28 g/mol
LogP2.65
Rot. Bonds3

About 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid

4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid (PubChem CID 66437149) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
PubChem CID66437149
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCc1cc(Oc2csc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C11H10N2O3S/c1-6-3-10(13-7(2)12-6)16-8-4-9(11(14)15)17-5-8/h3-5H,1-2H3,(H,14,15)
InChIKeyNUAIKTHVVTVOCA-UHFFFAOYSA-N
XLogP2.65
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid (CID 66437149) is 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid is Cc1cc(Oc2csc(C(=O)O)c2)nc(C)n1.
What is the InChIKey of 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The InChIKey is NUAIKTHVVTVOCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-6-3-10(13-7(2)12-6)16-8-4-9(11(14)15)17-5-8/h3-5H,1-2H3,(H,14,15).
What are the key properties of 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66437149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).