2-methylsulfanylpyridin-4-amine

C6H8N2S — CID 53486302

IUPAC2-methylsulfanylpyridin-4-amine
SMILESCSc1cc(N)ccn1
InChIInChI=1S/C6H8N2S/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8)
InChIKeyMZSQIZRESVBKIM-UHFFFAOYSA-N
MW140.21 g/mol
LogP1.39
Rot. Bonds1

About 2-methylsulfanylpyridin-4-amine

2-methylsulfanylpyridin-4-amine (PubChem CID 53486302) has the molecular formula C6H8N2S and a molecular weight of 140.21 g/mol. Its IUPAC name is 2-methylsulfanylpyridin-4-amine.

Molecular Properties

Compound Name2-methylsulfanylpyridin-4-amine
PubChem CID53486302
Molecular FormulaC6H8N2S
Molecular Weight140.21 g/mol
Exact Mass140.04
IUPAC Name2-methylsulfanylpyridin-4-amine
SMILESCSc1cc(N)ccn1
InChIInChI=1S/C6H8N2S/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8)
InChIKeyMZSQIZRESVBKIM-UHFFFAOYSA-N
XLogP1.39
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methylsulfanylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylpyridin-4-amine?
The IUPAC name of 2-methylsulfanylpyridin-4-amine (CID 53486302) is 2-methylsulfanylpyridin-4-amine.
What is the SMILES notation for 2-methylsulfanylpyridin-4-amine?
The canonical SMILES for 2-methylsulfanylpyridin-4-amine is CSc1cc(N)ccn1.
What is the InChIKey of 2-methylsulfanylpyridin-4-amine?
The InChIKey is MZSQIZRESVBKIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S/c1-9-6-4-5(7)2-3-8-6/h2-4H,1H3,(H2,7,8).
What are the key properties of 2-methylsulfanylpyridin-4-amine?
2-methylsulfanylpyridin-4-amine has a molecular weight of 140.21 g/mol, XLogP of 1.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylpyridin-4-amine is sourced from PubChem (CID 53486302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).