4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine

C13H14N2S — CID 28890544

IUPAC4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(C)c(Sc2ccncc2N)c1
InChIInChI=1S/C13H14N2S/c1-9-3-4-10(2)13(7-9)16-12-5-6-15-8-11(12)14/h3-8H,14H2,1-2H3
InChIKeyHJBHCZLJYWJMOH-UHFFFAOYSA-N
MW230.34 g/mol
LogP3.43
Rot. Bonds2

About 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine

4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine (PubChem CID 28890544) has the molecular formula C13H14N2S and a molecular weight of 230.34 g/mol. Its IUPAC name is 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine.

Molecular Properties

Compound Name4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine
PubChem CID28890544
Molecular FormulaC13H14N2S
Molecular Weight230.34 g/mol
Exact Mass230.09
IUPAC Name4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine
SMILESCc1ccc(C)c(Sc2ccncc2N)c1
InChIInChI=1S/C13H14N2S/c1-9-3-4-10(2)13(7-9)16-12-5-6-15-8-11(12)14/h3-8H,14H2,1-2H3
InChIKeyHJBHCZLJYWJMOH-UHFFFAOYSA-N
XLogP3.43
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.34
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(5-bromo-3-methyl-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 79718644
4-(2,6-dimethylpyrimidin-4-yl)sulfanylpyridin-3-amine
CID 62112470
4-(2,4-dimethylphenyl)pyridin-3-amine
CID 80503034
4-[(2,4-dimethylphenyl)methyl]pyridin-3-amine
CID 96612968
4-(5-bromopyrimidin-2-yl)sulfanylpyridin-3-amine
CID 63872669
4-[2-(4-methylphenoxy)ethylsulfanyl]pyridin-3-amine
CID 43299979
4-methyl-3-methylsulfanylpyridine
CID 21345785
4-(5-chloropyrazin-2-yl)sulfanylpyridin-3-amine
CID 142433853
4-[(5-bromo-2-pyridinyl)sulfanyl]pyridin-3-amine
CID 62112804
4-(1,2,4-thiadiazol-5-ylsulfanyl)pyridin-3-amine
CID 65275012
N-(3-amino-4-pyridinyl)-N,2,5-trimethylbenzenesulfonamide
CID 61359410
5-(2,5-dimethylphenyl)-4-methylpyridin-3-amine
CID 178203224

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine?
The IUPAC name of 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine (CID 28890544) is 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine.
What is the SMILES notation for 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine?
The canonical SMILES for 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine is Cc1ccc(C)c(Sc2ccncc2N)c1.
What is the InChIKey of 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine?
The InChIKey is HJBHCZLJYWJMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2S/c1-9-3-4-10(2)13(7-9)16-12-5-6-15-8-11(12)14/h3-8H,14H2,1-2H3.
What are the key properties of 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine?
4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine has a molecular weight of 230.34 g/mol, XLogP of 3.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylphenyl)sulfanylpyridin-3-amine is sourced from PubChem (CID 28890544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).