5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine

C13H22FN3S — CID 114035458

IUPAC5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCNCc1cc(F)cnc1N(C)C(C)CCSC
InChIInChI=1S/C13H22FN3S/c1-10(5-6-18-4)17(3)13-11(8-15-2)7-12(14)9-16-13/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyMWJDLLGFHKBZHR-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.52
Rot. Bonds7

About 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine

5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine (PubChem CID 114035458) has the molecular formula C13H22FN3S and a molecular weight of 271.40 g/mol. Its IUPAC name is 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
PubChem CID114035458
Molecular FormulaC13H22FN3S
Molecular Weight271.40 g/mol
Exact Mass271.15
IUPAC Name5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine
SMILESCNCc1cc(F)cnc1N(C)C(C)CCSC
InChIInChI=1S/C13H22FN3S/c1-10(5-6-18-4)17(3)13-11(8-15-2)7-12(14)9-16-13/h7,9-10,15H,5-6,8H2,1-4H3
InChIKeyMWJDLLGFHKBZHR-UHFFFAOYSA-N
XLogP2.52
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)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-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
The IUPAC name of 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine (CID 114035458) is 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine.
What is the SMILES notation for 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
The canonical SMILES for 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine is CNCc1cc(F)cnc1N(C)C(C)CCSC.
What is the InChIKey of 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
The InChIKey is MWJDLLGFHKBZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3S/c1-10(5-6-18-4)17(3)13-11(8-15-2)7-12(14)9-16-13/h7,9-10,15H,5-6,8H2,1-4H3.
What are the key properties of 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine?
5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine has a molecular weight of 271.40 g/mol, XLogP of 2.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methyl-3-(methylaminomethyl)-N-(4-methylsulfanylbutan-2-yl)pyridin-2-amine is sourced from PubChem (CID 114035458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).