6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid

C10H8N2O2S — CID 62745013

IUPAC6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C10H8N2O2S/c1-6-5-7(10(13)14)12-9(11-6)8-3-2-4-15-8/h2-5H,1H3,(H,13,14)
InChIKeyTYSOLBVIAJOBAP-UHFFFAOYSA-N
MW220.25 g/mol
LogP2.21
Rot. Bonds2

About 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid

6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid (PubChem CID 62745013) has the molecular formula C10H8N2O2S and a molecular weight of 220.25 g/mol. Its IUPAC name is 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
PubChem CID62745013
Molecular FormulaC10H8N2O2S
Molecular Weight220.25 g/mol
Exact Mass220.03
IUPAC Name6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid
SMILESCc1cc(C(=O)O)nc(-c2cccs2)n1
InChIInChI=1S/C10H8N2O2S/c1-6-5-7(10(13)14)12-9(11-6)8-3-2-4-15-8/h2-5H,1H3,(H,13,14)
InChIKeyTYSOLBVIAJOBAP-UHFFFAOYSA-N
XLogP2.21
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The IUPAC name of 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid (CID 62745013) is 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The canonical SMILES for 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid is Cc1cc(C(=O)O)nc(-c2cccs2)n1.
What is the InChIKey of 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
The InChIKey is TYSOLBVIAJOBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2S/c1-6-5-7(10(13)14)12-9(11-6)8-3-2-4-15-8/h2-5H,1H3,(H,13,14).
What are the key properties of 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid?
6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid has a molecular weight of 220.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-thiophen-2-ylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 62745013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).