5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine

C14H16N2S — CID 83267578

IUPAC5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
SMILESCc1cnc(SCc2ccccc2C)cc1N
InChIInChI=1S/C14H16N2S/c1-10-5-3-4-6-12(10)9-17-14-7-13(15)11(2)8-16-14/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyTXUWOYAAVZAYMP-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.57
Rot. Bonds3

About 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine

5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine (PubChem CID 83267578) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine.

Molecular Properties

Compound Name5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
PubChem CID83267578
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine
SMILESCc1cnc(SCc2ccccc2C)cc1N
InChIInChI=1S/C14H16N2S/c1-10-5-3-4-6-12(10)9-17-14-7-13(15)11(2)8-16-14/h3-8H,9H2,1-2H3,(H2,15,16)
InChIKeyTXUWOYAAVZAYMP-UHFFFAOYSA-N
XLogP3.57
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine?
The IUPAC name of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine (CID 83267578) is 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine.
What is the SMILES notation for 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine?
The canonical SMILES for 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine is Cc1cnc(SCc2ccccc2C)cc1N.
What is the InChIKey of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine?
The InChIKey is TXUWOYAAVZAYMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-5-3-4-6-12(10)9-17-14-7-13(15)11(2)8-16-14/h3-8H,9H2,1-2H3,(H2,15,16).
What are the key properties of 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine?
5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine has a molecular weight of 244.36 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2-methylphenyl)methylsulfanyl]pyridin-4-amine is sourced from PubChem (CID 83267578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).