6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine

C13H16BrN3S — CID 79244017

IUPAC6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN(C)Cc2csc(Br)c2)n1
InChIInChI=1S/C13H16BrN3S/c1-15-13-5-3-4-11(16-13)8-17(2)7-10-6-12(14)18-9-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeySZFPJKVLMYURBT-UHFFFAOYSA-N
MW326.26 g/mol
LogP3.58
Rot. Bonds5

About 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine

6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine (PubChem CID 79244017) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine.

Molecular Properties

Compound Name6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
PubChem CID79244017
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
SMILESCNc1cccc(CN(C)Cc2csc(Br)c2)n1
InChIInChI=1S/C13H16BrN3S/c1-15-13-5-3-4-11(16-13)8-17(2)7-10-6-12(14)18-9-10/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeySZFPJKVLMYURBT-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
The IUPAC name of 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine (CID 79244017) is 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine.
What is the SMILES notation for 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
The canonical SMILES for 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine is CNc1cccc(CN(C)Cc2csc(Br)c2)n1.
What is the InChIKey of 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
The InChIKey is SZFPJKVLMYURBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-15-13-5-3-4-11(16-13)8-17(2)7-10-6-12(14)18-9-10/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine?
6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine has a molecular weight of 326.26 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine is sourced from PubChem (CID 79244017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).