4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine

C13H14N2S — CID 79176562

IUPAC4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2ccccc2C)ncc1N
InChIInChI=1S/C13H14N2S/c1-9-5-3-4-6-12(9)16-13-7-10(2)11(14)8-15-13/h3-8H,14H2,1-2H3
InChIKeyOLYALCRCSADRPE-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.43
Rot. Bonds2

About 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine

4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine (PubChem CID 79176562) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine
PubChem CID79176562
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine
SMILESCc1cc(Sc2ccccc2C)ncc1N
InChIInChI=1S/C13H14N2S/c1-9-5-3-4-6-12(9)16-13-7-10(2)11(14)8-15-13/h3-8H,14H2,1-2H3
InChIKeyOLYALCRCSADRPE-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine?
The IUPAC name of 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine (CID 79176562) is 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine is Cc1cc(Sc2ccccc2C)ncc1N.
What is the InChIKey of 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine?
The InChIKey is OLYALCRCSADRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-5-3-4-6-12(9)16-13-7-10(2)11(14)8-15-13/h3-8H,14H2,1-2H3.
What are the key properties of 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine?
4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine has a molecular weight of 230.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylphenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 79176562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).