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

C10H8N2O3S — CID 66437578

IUPAC4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCc1cc(Oc2csc(C(=O)O)c2)ncn1
InChIInChI=1S/C10H8N2O3S/c1-6-2-9(12-5-11-6)15-7-3-8(10(13)14)16-4-7/h2-5H,1H3,(H,13,14)
InChIKeyPBJPMWYJMZIMGH-UHFFFAOYSA-N
MW236.25 g/mol
LogP2.34
Rot. Bonds3

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

4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid (PubChem CID 66437578) has the molecular formula C10H8N2O3S and a molecular weight of 236.25 g/mol. Its IUPAC name is 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
PubChem CID66437578
Molecular FormulaC10H8N2O3S
Molecular Weight236.25 g/mol
Exact Mass236.03
IUPAC Name4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
SMILESCc1cc(Oc2csc(C(=O)O)c2)ncn1
InChIInChI=1S/C10H8N2O3S/c1-6-2-9(12-5-11-6)15-7-3-8(10(13)14)16-4-7/h2-5H,1H3,(H,13,14)
InChIKeyPBJPMWYJMZIMGH-UHFFFAOYSA-N
XLogP2.34
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,6-dimethylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437149
4-[(4-methyl-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436717
4-[(4-methyl-1,3-thiazol-2-yl)oxy]thiophene-2-carboxylic acid
CID 66437150
4-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436488
4-(6-ethyl-2-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66436265
4-(4-bromo-3,5-dimethylphenoxy)thiophene-2-carboxylic acid
CID 107724907
4-(5-iodopyrimidin-2-yl)oxythiophene-2-carboxylic acid
CID 116649335
4-[(6-cyano-2-pyridinyl)oxy]thiophene-2-carboxylic acid
CID 66436274
(6-methylpyrimidin-4-yl) hydrogen carbonate
CID 67791604
4-(1-methylimidazol-2-yl)oxythiophene-2-carboxylic acid
CID 66438899
4-(6-methylpyrimidin-4-yl)oxyphenol
CID 61224161
4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)oxythiophene-2-carboxylic acid
CID 66437368

Frequently Asked Questions

What is the IUPAC name of 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The IUPAC name of 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid (CID 66437578) is 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid.
What is the SMILES notation for 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The canonical SMILES for 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid is Cc1cc(Oc2csc(C(=O)O)c2)ncn1.
What is the InChIKey of 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
The InChIKey is PBJPMWYJMZIMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O3S/c1-6-2-9(12-5-11-6)15-7-3-8(10(13)14)16-4-7/h2-5H,1H3,(H,13,14).
What are the key properties of 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid?
4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid has a molecular weight of 236.25 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methylpyrimidin-4-yl)oxythiophene-2-carboxylic acid is sourced from PubChem (CID 66437578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).