6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine

C12H13N3S — CID 80647295

IUPAC6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCSc1cccc(Nc2cccc(N)n2)c1
InChIInChI=1S/C12H13N3S/c1-16-10-5-2-4-9(8-10)14-12-7-3-6-11(13)15-12/h2-8H,1H3,(H3,13,14,15)
InChIKeyXEVKKPJMZIGGDT-UHFFFAOYSA-N
MW231.32 g/mol
LogP3.13
Rot. Bonds3

About 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine

6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine (PubChem CID 80647295) has the molecular formula C12H13N3S and a molecular weight of 231.32 g/mol. Its IUPAC name is 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
PubChem CID80647295
Molecular FormulaC12H13N3S
Molecular Weight231.32 g/mol
Exact Mass231.08
IUPAC Name6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine
SMILESCSc1cccc(Nc2cccc(N)n2)c1
InChIInChI=1S/C12H13N3S/c1-16-10-5-2-4-9(8-10)14-12-7-3-6-11(13)15-12/h2-8H,1H3,(H3,13,14,15)
InChIKeyXEVKKPJMZIGGDT-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

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Related Compounds

6-chloro-2-methylsulfanyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80544469
6-(2-bromophenyl)-N-(3-methylsulfanylphenyl)pyridin-2-amine
CID 69038540
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
CID 79020854
6-hydrazinyl-N-(3-methylsulfanylphenyl)-2-propan-2-ylpyrimidin-4-amine
CID 80969003
2-tert-butyl-6-chloro-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80948595
6-N-(2-methylsulfanylphenyl)pyridine-2,6-diamine
CID 107647058
2-cyclopropyl-6-hydrazinyl-N-(3-methylsulfanylphenyl)pyrimidin-4-amine
CID 80969098
6-N-(4-bromo-3,5-dimethylphenyl)pyridine-2,6-diamine
CID 107580588
5-(3-methylsulfanylanilino)-2H-1,2,4-triazine-3-thione
CID 23412179
2-N,2-N-dimethyl-4-N-(3-methylsulfanylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80768872
5-fluoro-3-N-(3-methylsulfanylphenyl)benzene-1,3-diamine
CID 60874791
6-N-(2,3-dihydro-1H-inden-5-yl)pyridine-2,6-diamine
CID 80646724

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine (CID 80647295) is 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine is CSc1cccc(Nc2cccc(N)n2)c1.
What is the InChIKey of 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine?
The InChIKey is XEVKKPJMZIGGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3S/c1-16-10-5-2-4-9(8-10)14-12-7-3-6-11(13)15-12/h2-8H,1H3,(H3,13,14,15).
What are the key properties of 6-N-(3-methylsulfanylphenyl)pyridine-2,6-diamine?
6-N-(3-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-(3-methylsulfanylphenyl)pyridine-2,6-diamine is sourced from PubChem (CID 80647295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).