5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

C12H13BrN2S — CID 103915087

IUPAC5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1nc(N(C)Cc2ccsc2)ccc1Br
InChIInChI=1S/C12H13BrN2S/c1-9-11(13)3-4-12(14-9)15(2)7-10-5-6-16-8-10/h3-6,8H,7H2,1-2H3
InChIKeyRFNYXFBPQRQSDL-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.85
Rot. Bonds3

About 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine

5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (PubChem CID 103915087) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
PubChem CID103915087
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
SMILESCc1nc(N(C)Cc2ccsc2)ccc1Br
InChIInChI=1S/C12H13BrN2S/c1-9-11(13)3-4-12(14-9)15(2)7-10-5-6-16-8-10/h3-6,8H,7H2,1-2H3
InChIKeyRFNYXFBPQRQSDL-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(2,3-dihydro-1H-inden-5-ylmethyl)-N,6-dimethylpyridin-2-amine
CID 115148300
6-hydrazinyl-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 80905801
5-bromo-N-methyl-N-(thiophen-3-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64622630
2-N-methyl-6-[(2-methylpropan-2-yl)oxy]-2-N-(thiophen-3-ylmethyl)pyridine-2,5-diamine
CID 43528023
5-bromo-N,N,6-trimethylpyridin-2-amine
CID 69256889
2-N,4-N,4-N-trimethyl-2-N-(thiophen-3-ylmethyl)pyrimidine-2,4-diamine
CID 133383518
6-[methyl(thiophen-3-ylmethyl)amino]pyrazine-2-carboxylic acid
CID 66457207
5-bromo-N-[(5-chloro-1-methylimidazol-2-yl)methyl]-N,6-dimethylpyridin-2-amine
CID 133452816
5-(ethylaminomethyl)-N-methyl-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 55054778
5-bromo-N,6-dimethyl-N-(4-methylpentyl)pyridin-2-amine
CID 115148353
5-bromo-N-(3-methoxypropyl)-N,6-dimethylpyridin-2-amine
CID 103915135
4-[(5-bromo-6-methyl-2-pyridinyl)-methylamino]butan-2-ol
CID 103915166

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine (CID 103915087) is 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is Cc1nc(N(C)Cc2ccsc2)ccc1Br.
What is the InChIKey of 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
The InChIKey is RFNYXFBPQRQSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-9-11(13)3-4-12(14-9)15(2)7-10-5-6-16-8-10/h3-6,8H,7H2,1-2H3.
What are the key properties of 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine?
5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine has a molecular weight of 297.22 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dimethyl-N-(thiophen-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 103915087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).