6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine

C11H16ClN3S — CID 104924476

IUPAC6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine
SMILESCSC1CCCC1Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C11H16ClN3S/c1-16-9-4-2-3-8(9)14-11-6-7(13)5-10(12)15-11/h5-6,8-9H,2-4H2,1H3,(H3,13,14,15)
InChIKeyNGUWEXMLMWEIQW-UHFFFAOYSA-N
MW257.79 g/mol
LogP3.01
Rot. Bonds3

About 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine

6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine (PubChem CID 104924476) has the molecular formula C11H16ClN3S and a molecular weight of 257.79 g/mol. Its IUPAC name is 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine
PubChem CID104924476
Molecular FormulaC11H16ClN3S
Molecular Weight257.79 g/mol
Exact Mass257.08
IUPAC Name6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine
SMILESCSC1CCCC1Nc1cc(N)cc(Cl)n1
InChIInChI=1S/C11H16ClN3S/c1-16-9-4-2-3-8(9)14-11-6-7(13)5-10(12)15-11/h5-6,8-9H,2-4H2,1H3,(H3,13,14,15)
InChIKeyNGUWEXMLMWEIQW-UHFFFAOYSA-N
XLogP3.01
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.79
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine 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 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine (CID 104924476) is 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine is CSC1CCCC1Nc1cc(N)cc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine?
The InChIKey is NGUWEXMLMWEIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3S/c1-16-9-4-2-3-8(9)14-11-6-7(13)5-10(12)15-11/h5-6,8-9H,2-4H2,1H3,(H3,13,14,15).
What are the key properties of 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine?
6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine has a molecular weight of 257.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(2-methylsulfanylcyclopentyl)pyridine-2,4-diamine is sourced from PubChem (CID 104924476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).