6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine

C14H16N2S — CID 81138237

IUPAC6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCc1cccc(CSc2nc(C)ccc2N)c1
InChIInChI=1S/C14H16N2S/c1-10-4-3-5-12(8-10)9-17-14-13(15)7-6-11(2)16-14/h3-8H,9,15H2,1-2H3
InChIKeyIAIJBFWUVGMYMM-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.57
Rot. Bonds3

About 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine

6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine (PubChem CID 81138237) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine.

Molecular Properties

Compound Name6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
PubChem CID81138237
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine
SMILESCc1cccc(CSc2nc(C)ccc2N)c1
InChIInChI=1S/C14H16N2S/c1-10-4-3-5-12(8-10)9-17-14-13(15)7-6-11(2)16-14/h3-8H,9,15H2,1-2H3
InChIKeyIAIJBFWUVGMYMM-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 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
The IUPAC name of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine (CID 81138237) is 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine.
What is the SMILES notation for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
The canonical SMILES for 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine is Cc1cccc(CSc2nc(C)ccc2N)c1.
What is the InChIKey of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
The InChIKey is IAIJBFWUVGMYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-10-4-3-5-12(8-10)9-17-14-13(15)7-6-11(2)16-14/h3-8H,9,15H2,1-2H3.
What are the key properties of 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine?
6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-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 6-methyl-2-[(3-methylphenyl)methylsulfanyl]pyridin-3-amine is sourced from PubChem (CID 81138237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).