2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine

C13H16N2OS — CID 103183368

IUPAC2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CSCc2ccco2)c(C)c1N
InChIInChI=1S/C13H16N2OS/c1-9-6-15-12(10(2)13(9)14)8-17-7-11-4-3-5-16-11/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyFEPOHIGYNFGNKN-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.31
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine

2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine (PubChem CID 103183368) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
PubChem CID103183368
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
SMILESCc1cnc(CSCc2ccco2)c(C)c1N
InChIInChI=1S/C13H16N2OS/c1-9-6-15-12(10(2)13(9)14)8-17-7-11-4-3-5-16-11/h3-6H,7-8H2,1-2H3,(H2,14,15)
InChIKeyFEPOHIGYNFGNKN-UHFFFAOYSA-N
XLogP3.31
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(butylsulfanylmethyl)-3,5-dimethylpyridin-4-amine
CID 103183383
2-[(2-methylphenyl)methylsulfanylmethyl]furan
CID 78761613
4-(furan-2-ylmethylsulfanylmethyl)pyrimidine-5-carboxylic acid
CID 102973750
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
3,5-dimethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)pyridin-4-amine
CID 103183329
2-amino-6-(furan-2-ylmethylsulfanylmethyl)benzoic acid
CID 113457461
5-(furan-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 43243212
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
2-[2-(furan-2-ylmethylsulfanyl)ethyl]aniline
CID 62495920
2-[[1-(furan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-4-methoxy-3,5-dimethylpyridine
CID 56790276
2-(furan-2-ylmethylsulfanylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62189115
2-(furan-2-ylmethylsulfanylmethyl)-6-nitroaniline
CID 107352612

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
The IUPAC name of 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine (CID 103183368) is 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
The canonical SMILES for 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine is Cc1cnc(CSCc2ccco2)c(C)c1N.
What is the InChIKey of 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
The InChIKey is FEPOHIGYNFGNKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c1-9-6-15-12(10(2)13(9)14)8-17-7-11-4-3-5-16-11/h3-6H,7-8H2,1-2H3,(H2,14,15).
What are the key properties of 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine?
2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine has a molecular weight of 248.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanylmethyl)-3,5-dimethylpyridin-4-amine is sourced from PubChem (CID 103183368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).