3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid

C12H12N2O2S2 — CID 82192387

IUPAC3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid
SMILESCc1cc(-c2cccs2)nc(SCCC(=O)O)n1
InChIInChI=1S/C12H12N2O2S2/c1-8-7-9(10-3-2-5-17-10)14-12(13-8)18-6-4-11(15)16/h2-3,5,7H,4,6H2,1H3,(H,15,16)
InChIKeyGPIATZSEVUOOGX-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.08
Rot. Bonds5

About 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid

3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid (PubChem CID 82192387) has the molecular formula C12H12N2O2S2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid.

Molecular Properties

Compound Name3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid
PubChem CID82192387
Molecular FormulaC12H12N2O2S2
Molecular Weight280.37 g/mol
Exact Mass280.03
IUPAC Name3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid
SMILESCc1cc(-c2cccs2)nc(SCCC(=O)O)n1
InChIInChI=1S/C12H12N2O2S2/c1-8-7-9(10-3-2-5-17-10)14-12(13-8)18-6-4-11(15)16/h2-3,5,7H,4,6H2,1H3,(H,15,16)
InChIKeyGPIATZSEVUOOGX-UHFFFAOYSA-N
XLogP3.08
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
4-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)butan-2-one
CID 116895472
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
methyl 4-[4-thiophen-2-yl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylbutanoate
CID 134201947
methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
CID 116895161
2-[(5-thiophen-2-yl-1,2,4-triazin-3-yl)sulfanyl]acetic acid
CID 6417104
3-(4,6-diaminopyrimidin-2-yl)sulfanylpropanoic acid
CID 549214
3-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 23833208
3-[3-methyl-6-thiophen-2-yl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-1-yl]propanoic acid
CID 2366722
2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-(thiophen-2-ylmethylcarbamoyl)acetamide
CID 9478119
3-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]thiophene-2-carboxylic acid
CID 63641395
N-(4,6-dimethyl-2-pyridinyl)-2-thiophen-2-ylquinoline-4-carboxamide
CID 4588937

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid?
The IUPAC name of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid (CID 82192387) is 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid.
What is the SMILES notation for 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid?
The canonical SMILES for 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid is Cc1cc(-c2cccs2)nc(SCCC(=O)O)n1.
What is the InChIKey of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid?
The InChIKey is GPIATZSEVUOOGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S2/c1-8-7-9(10-3-2-5-17-10)14-12(13-8)18-6-4-11(15)16/h2-3,5,7H,4,6H2,1H3,(H,15,16).
What are the key properties of 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid?
3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid has a molecular weight of 280.37 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)sulfanylpropanoic acid is sourced from PubChem (CID 82192387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).