4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid

C12H12N2O3S — CID 66436265

IUPAC4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCCc1cc(Oc2csc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C12H12N2O3S/c1-3-8-4-11(14-7(2)13-8)17-9-5-10(12(15)16)18-6-9/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyQMHCGFTVDVUWPY-UHFFFAOYSA-N
MW264.31 g/mol
LogP2.90
Rot. Bonds4

About 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid

4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid (PubChem CID 66436265) has the molecular formula C12H12N2O3S and a molecular weight of 264.31 g/mol. Its IUPAC name is 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
PubChem CID66436265
Molecular FormulaC12H12N2O3S
Molecular Weight264.31 g/mol
Exact Mass264.06
IUPAC Name4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCCc1cc(Oc2csc(C(=O)O)c2)nc(C)n1
InChIInChI=1S/C12H12N2O3S/c1-3-8-4-11(14-7(2)13-8)17-9-5-10(12(15)16)18-6-9/h4-6H,3H2,1-2H3,(H,15,16)
InChIKeyQMHCGFTVDVUWPY-UHFFFAOYSA-N
XLogP2.90
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid (CID 66436265) is 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid is CCc1cc(Oc2csc(C(=O)O)c2)nc(C)n1.
What is the InChIKey of 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The InChIKey is QMHCGFTVDVUWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S/c1-3-8-4-11(14-7(2)13-8)17-9-5-10(12(15)16)18-6-9/h4-6H,3H2,1-2H3,(H,15,16).
What are the key properties of 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid has a molecular weight of 264.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66436265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).