6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine

C12H13N3S — CID 107647058

IUPAC6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCSc1ccccc1Nc1cccc(N)n1
InChIInChI=1S/C12H13N3S/c1-16-10-6-3-2-5-9(10)14-12-8-4-7-11(13)15-12/h2-8H,1H3,(H3,13,14,15)
InChIKeyQDECCGQBVJJZHZ-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.13
Rot. Bonds3

About 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine

6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine (PubChem CID 107647058) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
PubChem CID107647058
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCSc1ccccc1Nc1cccc(N)n1
InChIInChI=1S/C12H13N3S/c1-16-10-6-3-2-5-9(10)14-12-8-4-7-11(13)15-12/h2-8H,1H3,(H3,13,14,15)
InChIKeyQDECCGQBVJJZHZ-UHFFFAOYSA-N
XLogP3.13
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.32
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine 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 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine (CID 107647058) is 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine is CSc1ccccc1Nc1cccc(N)n1.
What is the InChIKey of 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
The InChIKey is QDECCGQBVJJZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-16-10-6-3-2-5-9(10)14-12-8-4-7-11(13)15-12/h2-8H,1H3,(H3,13,14,15).
What are the key properties of 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine?
6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine has a molecular weight of 231.32 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 107647058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).