4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine

C13H15N3S — CID 107643430

IUPAC4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
SMILESCSc1ccccc1Nc1cc(C)c(N)cn1
InChIInChI=1S/C13H15N3S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyYADUUDLCFROKBW-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.44
Rot. Bonds3

About 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine

4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine (PubChem CID 107643430) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
PubChem CID107643430
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine
SMILESCSc1ccccc1Nc1cc(C)c(N)cn1
InChIInChI=1S/C13H15N3S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyYADUUDLCFROKBW-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 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine?
The IUPAC name of 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine (CID 107643430) is 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine.
What is the SMILES notation for 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine?
The canonical SMILES for 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine is CSc1ccccc1Nc1cc(C)c(N)cn1.
What is the InChIKey of 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine?
The InChIKey is YADUUDLCFROKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-7-13(15-8-10(9)14)16-11-5-3-4-6-12(11)17-2/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine?
4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-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 4-methyl-2-N-(2-methylsulfanylphenyl)pyridine-2,5-diamine is sourced from PubChem (CID 107643430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).