5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine

C13H15N3S — CID 112655209

IUPAC5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccc(SCc2ccc(N)nc2)c(N)c1
InChIInChI=1S/C13H15N3S/c1-9-2-4-12(11(14)6-9)17-8-10-3-5-13(15)16-7-10/h2-7H,8,14H2,1H3,(H2,15,16)
InChIKeyUGLOJQXMGXZHHX-UHFFFAOYSA-N
MW245.35 g/mol
LogP2.85
Rot. Bonds3

About 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine

5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine (PubChem CID 112655209) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine
PubChem CID112655209
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Name5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine
SMILESCc1ccc(SCc2ccc(N)nc2)c(N)c1
InChIInChI=1S/C13H15N3S/c1-9-2-4-12(11(14)6-9)17-8-10-3-5-13(15)16-7-10/h2-7H,8,14H2,1H3,(H2,15,16)
InChIKeyUGLOJQXMGXZHHX-UHFFFAOYSA-N
XLogP2.85
TPSA64.93 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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine 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 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The IUPAC name of 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine (CID 112655209) is 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine.
What is the SMILES notation for 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The canonical SMILES for 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine is Cc1ccc(SCc2ccc(N)nc2)c(N)c1.
What is the InChIKey of 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
The InChIKey is UGLOJQXMGXZHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3S/c1-9-2-4-12(11(14)6-9)17-8-10-3-5-13(15)16-7-10/h2-7H,8,14H2,1H3,(H2,15,16).
What are the key properties of 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine?
5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine has a molecular weight of 245.35 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-4-methylphenyl)sulfanylmethyl]pyridin-2-amine is sourced from PubChem (CID 112655209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).