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

C13H15N3S — CID 79020854

IUPAC6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
SMILESCSc1cccc(Nc2nc(C)ccc2N)c1
InChIInChI=1S/C13H15N3S/c1-9-6-7-12(14)13(15-9)16-10-4-3-5-11(8-10)17-2/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyOZVKOQBZHNNUJA-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.44
Rot. Bonds3

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

6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine (PubChem CID 79020854) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
PubChem CID79020854
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine
SMILESCSc1cccc(Nc2nc(C)ccc2N)c1
InChIInChI=1S/C13H15N3S/c1-9-6-7-12(14)13(15-9)16-10-4-3-5-11(8-10)17-2/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyOZVKOQBZHNNUJA-UHFFFAOYSA-N
XLogP3.44
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine?
The IUPAC name of 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine (CID 79020854) is 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine?
The canonical SMILES for 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine is CSc1cccc(Nc2nc(C)ccc2N)c1.
What is the InChIKey of 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine?
The InChIKey is OZVKOQBZHNNUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-6-7-12(14)13(15-9)16-10-4-3-5-11(8-10)17-2/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine?
6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine has a molecular weight of 245.35 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(3-methylsulfanylphenyl)pyridine-2,3-diamine is sourced from PubChem (CID 79020854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).