2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid

C10H14N2O2S — CID 81229065

IUPAC2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid
SMILESCc1cc(SC(C)(C)C(=O)O)nc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-6-5-8(12-7(2)11-6)15-10(3,4)9(13)14/h5H,1-4H3,(H,13,14)
InChIKeyCSRYGLXBUUNDMI-UHFFFAOYSA-N
MW226.30 g/mol
LogP2.05
Rot. Bonds3

About 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid

2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid (PubChem CID 81229065) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid
PubChem CID81229065
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Name2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid
SMILESCc1cc(SC(C)(C)C(=O)O)nc(C)n1
InChIInChI=1S/C10H14N2O2S/c1-6-5-8(12-7(2)11-6)15-10(3,4)9(13)14/h5H,1-4H3,(H,13,14)
InChIKeyCSRYGLXBUUNDMI-UHFFFAOYSA-N
XLogP2.05
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid?
The IUPAC name of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid (CID 81229065) is 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid.
What is the SMILES notation for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid?
The canonical SMILES for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid is Cc1cc(SC(C)(C)C(=O)O)nc(C)n1.
What is the InChIKey of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid?
The InChIKey is CSRYGLXBUUNDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-6-5-8(12-7(2)11-6)15-10(3,4)9(13)14/h5H,1-4H3,(H,13,14).
What are the key properties of 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid?
2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid has a molecular weight of 226.30 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-2-methylpropanoic acid is sourced from PubChem (CID 81229065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).