3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

C12H13BrN2S — CID 106876592

IUPAC3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(N(C)Cc2cccs2)c1Br
InChIInChI=1S/C12H13BrN2S/c1-9-5-6-14-12(11(9)13)15(2)8-10-4-3-7-16-10/h3-7H,8H2,1-2H3
InChIKeyPAZIJPVERHKZOI-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.85
Rot. Bonds3

About 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine

3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (PubChem CID 106876592) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
PubChem CID106876592
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(N(C)Cc2cccs2)c1Br
InChIInChI=1S/C12H13BrN2S/c1-9-5-6-14-12(11(9)13)15(2)8-10-4-3-7-16-10/h3-7H,8H2,1-2H3
InChIKeyPAZIJPVERHKZOI-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

3-bromo-N-[(5-bromothiophen-3-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876846
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
3-(aminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43528549
2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 43009194
3-(2-aminoethyl)-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 114057374
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
2-N-methyl-2-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 116796444
5-bromo-N-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 55137560
N-methyl-3-nitro-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 9113799
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
5-bromo-2-N,4-N-dimethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80782012

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine (CID 106876592) is 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is Cc1ccnc(N(C)Cc2cccs2)c1Br.
What is the InChIKey of 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
The InChIKey is PAZIJPVERHKZOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-9-5-6-14-12(11(9)13)15(2)8-10-4-3-7-16-10/h3-7H,8H2,1-2H3.
What are the key properties of 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine?
3-bromo-N,4-dimethyl-N-(thiophen-2-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 3-bromo-N,4-dimethyl-N-(thiophen-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106876592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).