2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid

C11H10N2O2S — CID 82290615

IUPAC2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(-c2cccs2)n1
InChIInChI=1S/C11H10N2O2S/c1-6-9(11(14)15)10(13-7(2)12-6)8-4-3-5-16-8/h3-5H,1-2H3,(H,14,15)
InChIKeyRSIPVTVVNNRZLV-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.52
Rot. Bonds2

About 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid

2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid (PubChem CID 82290615) has the molecular formula C11H10N2O2S and a molecular weight of 234.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
PubChem CID82290615
Molecular FormulaC11H10N2O2S
Molecular Weight234.28 g/mol
Exact Mass234.05
IUPAC Name2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid
SMILESCc1nc(C)c(C(=O)O)c(-c2cccs2)n1
InChIInChI=1S/C11H10N2O2S/c1-6-9(11(14)15)10(13-7(2)12-6)8-4-3-5-16-8/h3-5H,1-2H3,(H,14,15)
InChIKeyRSIPVTVVNNRZLV-UHFFFAOYSA-N
XLogP2.52
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dimethyl-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 62744538
3,5,7-trimethyl-2-thiophen-2-ylquinoline-4-carboxylic acid
CID 63463303
2-chloro-5-methyl-6-thiophen-2-ylpyridine-3-carboxylic acid
CID 82119973
2-methyl-6-thiophen-2-ylbenzoic acid
CID 53224798
3-thiophen-2-ylpyrazine-2-carboxylic acid
CID 82470252
1-(2-methyl-6-thiophen-2-yl-3-pyridinyl)ethanone
CID 66490371
4-(3,5-dimethyl-4-thiophen-2-ylphenyl)-2,6-dimethylbenzoic acid
CID 141257955
2-methyl-5-thiophen-2-yl-1,3-thiazole-4-carboxylic acid
CID 53271804
2-methyl-4-thiophen-2-ylbenzene-1,3-dicarboxylic acid
CID 151454780
5-methyl-3-phenyl-6-thiophen-2-ylimidazo[2,1-b][1,3]thiazole-2-carboxylic acid
CID 82035798
4-methyl-6-(3-phenylpropylsulfanyl)-2-thiophen-2-ylpyrimidine-5-carboxylic acid
CID 16773325
ethyl 4-methyl-6-phenyl-2-thiophen-2-ylpyrimidine-5-carboxylate
CID 132554839

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid (CID 82290615) is 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid is Cc1nc(C)c(C(=O)O)c(-c2cccs2)n1.
What is the InChIKey of 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid?
The InChIKey is RSIPVTVVNNRZLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2S/c1-6-9(11(14)15)10(13-7(2)12-6)8-4-3-5-16-8/h3-5H,1-2H3,(H,14,15).
What are the key properties of 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid?
2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-thiophen-2-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 82290615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).