4-(2-methylphenyl)-2-methylsulfanylpyrimidine

C12H12N2S — CID 71185326

IUPAC4-(2-methylphenyl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccccc2C)n1
InChIInChI=1S/C12H12N2S/c1-9-5-3-4-6-10(9)11-7-8-13-12(14-11)15-2/h3-8H,1-2H3
InChIKeyOULHWLXJLLCHKO-UHFFFAOYSA-N
MW216.31 g/mol
LogP3.17
Rot. Bonds2

About 4-(2-methylphenyl)-2-methylsulfanylpyrimidine

4-(2-methylphenyl)-2-methylsulfanylpyrimidine (PubChem CID 71185326) has the molecular formula C12H12N2S and a molecular weight of 216.31 g/mol. Its IUPAC name is 4-(2-methylphenyl)-2-methylsulfanylpyrimidine.

Molecular Properties

Compound Name4-(2-methylphenyl)-2-methylsulfanylpyrimidine
PubChem CID71185326
Molecular FormulaC12H12N2S
Molecular Weight216.31 g/mol
Exact Mass216.07
IUPAC Name4-(2-methylphenyl)-2-methylsulfanylpyrimidine
SMILESCSc1nccc(-c2ccccc2C)n1
InChIInChI=1S/C12H12N2S/c1-9-5-3-4-6-10(9)11-7-8-13-12(14-11)15-2/h3-8H,1-2H3
InChIKeyOULHWLXJLLCHKO-UHFFFAOYSA-N
XLogP3.17
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.31
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-2-methylsulfanylpyrimidine?
The IUPAC name of 4-(2-methylphenyl)-2-methylsulfanylpyrimidine (CID 71185326) is 4-(2-methylphenyl)-2-methylsulfanylpyrimidine.
What is the SMILES notation for 4-(2-methylphenyl)-2-methylsulfanylpyrimidine?
The canonical SMILES for 4-(2-methylphenyl)-2-methylsulfanylpyrimidine is CSc1nccc(-c2ccccc2C)n1.
What is the InChIKey of 4-(2-methylphenyl)-2-methylsulfanylpyrimidine?
The InChIKey is OULHWLXJLLCHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c1-9-5-3-4-6-10(9)11-7-8-13-12(14-11)15-2/h3-8H,1-2H3.
What are the key properties of 4-(2-methylphenyl)-2-methylsulfanylpyrimidine?
4-(2-methylphenyl)-2-methylsulfanylpyrimidine has a molecular weight of 216.31 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-2-methylsulfanylpyrimidine is sourced from PubChem (CID 71185326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).