[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine

C13H16N2OS — CID 107781025

IUPAC[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Sc2ccoc2C)n1
InChIInChI=1S/C13H16N2OS/c1-8-6-9(2)15-13(11(8)7-14)17-12-4-5-16-10(12)3/h4-6H,7,14H2,1-3H3
InChIKeyXGUTZVAZPNPMGK-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.21
Rot. Bonds3

About [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine

[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine (PubChem CID 107781025) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine
PubChem CID107781025
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine
SMILESCc1cc(C)c(CN)c(Sc2ccoc2C)n1
InChIInChI=1S/C13H16N2OS/c1-8-6-9(2)15-13(11(8)7-14)17-12-4-5-16-10(12)3/h4-6H,7,14H2,1-3H3
InChIKeyXGUTZVAZPNPMGK-UHFFFAOYSA-N
XLogP3.21
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine 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 [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine?
The IUPAC name of [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine (CID 107781025) is [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine.
What is the SMILES notation for [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine?
The canonical SMILES for [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine is Cc1cc(C)c(CN)c(Sc2ccoc2C)n1.
What is the InChIKey of [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine?
The InChIKey is XGUTZVAZPNPMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-8-6-9(2)15-13(11(8)7-14)17-12-4-5-16-10(12)3/h4-6H,7,14H2,1-3H3.
What are the key properties of [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine?
[4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine has a molecular weight of 248.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dimethyl-2-(2-methylfuran-3-yl)sulfanyl-3-pyridinyl]methanamine is sourced from PubChem (CID 107781025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).