N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine

C12H13BrN2S — CID 115750528

IUPACN-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C12H13BrN2S/c1-8-3-9(2)15-12(4-8)14-6-11-5-10(13)7-16-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyKCXSXIIOSGZIJF-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.13
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine

N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine (PubChem CID 115750528) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
PubChem CID115750528
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine
SMILESCc1cc(C)nc(NCc2cc(Br)cs2)c1
InChIInChI=1S/C12H13BrN2S/c1-8-3-9(2)15-12(4-8)14-6-11-5-10(13)7-16-11/h3-5,7H,6H2,1-2H3,(H,14,15)
InChIKeyKCXSXIIOSGZIJF-UHFFFAOYSA-N
XLogP4.13
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
CID 115750507
6-N-[(4-bromothiophen-2-yl)methyl]-2-N-methyl-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718632
N-[(4-bromothiophen-2-yl)methyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80969584
N-[(4-bromothiophen-2-yl)methyl]-4,5-dimethyl-1,3-thiazol-2-amine
CID 65168951
N-[(4-bromothiophen-2-yl)methyl]-5-propan-2-yl-1,2-oxazol-3-amine
CID 115910602
4-N-[(4-bromothiophen-2-yl)methyl]-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114565197
N-benzyl-4,6-dimethylpyridin-2-amine
CID 14593016
4-N-[(4-bromothiophen-2-yl)methyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80960032
N-[(4-bromothiophen-2-yl)methyl]-2,4-dimethylaniline
CID 28972836
2-bromo-N-[(4-bromothiophen-2-yl)methyl]-4-methylaniline
CID 28972854
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 113292960
N-[(4-bromothiophen-2-yl)methyl]-2,5-dimethylaniline
CID 28972942

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine (CID 115750528) is N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine is Cc1cc(C)nc(NCc2cc(Br)cs2)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine?
The InChIKey is KCXSXIIOSGZIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-3-9(2)15-12(4-8)14-6-11-5-10(13)7-16-11/h3-5,7H,6H2,1-2H3,(H,14,15).
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine has a molecular weight of 297.22 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-4,6-dimethylpyridin-2-amine is sourced from PubChem (CID 115750528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).