N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine

C12H13BrN2S — CID 115735513

IUPACN-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2cc(C)c(Br)s2)c1
InChIInChI=1S/C12H13BrN2S/c1-8-3-4-14-11(5-8)15-7-10-6-9(2)12(13)16-10/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLJRKFWKLLXWTDO-UHFFFAOYSA-N
MW297.22 g/mol
LogP4.13
Rot. Bonds3

About N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine (PubChem CID 115735513) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine
PubChem CID115735513
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC NameN-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine
SMILESCc1ccnc(NCc2cc(C)c(Br)s2)c1
InChIInChI=1S/C12H13BrN2S/c1-8-3-4-14-11(5-8)15-7-10-6-9(2)12(13)16-10/h3-6H,7H2,1-2H3,(H,14,15)
InChIKeyLJRKFWKLLXWTDO-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

N-[(5-bromo-4-methylthiophen-2-yl)methyl]-2-methylpropan-2-amine
CID 79981229
N-[(3-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 53414444
4-methyl-N-(1,2-oxazol-3-ylmethyl)pyridin-2-amine
CID 80702925
5-[[(4-methyl-2-pyridinyl)amino]methyl]thiophene-3-carbonitrile
CID 115735515
N-[[4-(chloromethyl)phenyl]methyl]-4-methylpyridin-2-amine
CID 107233111
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylpyridin-2-amine
CID 106374176
N-[(5-bromo-4-methylthiophen-2-yl)methyl]ethanamine
CID 79982113
4-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
CID 18870599
4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
3-[[(4-methyl-2-pyridinyl)amino]methyl]phenol
CID 82674382
N-(4-chlorobutyl)-4-methylpyridin-2-amine
CID 106845034
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-1-thiophen-2-ylmethanamine
CID 79981814

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine?
The IUPAC name of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine (CID 115735513) is N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine.
What is the SMILES notation for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine?
The canonical SMILES for N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine is Cc1ccnc(NCc2cc(C)c(Br)s2)c1.
What is the InChIKey of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine?
The InChIKey is LJRKFWKLLXWTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-3-4-14-11(5-8)15-7-10-6-9(2)12(13)16-10/h3-6H,7H2,1-2H3,(H,14,15).
What are the key properties of N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine?
N-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-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-[(5-bromo-4-methylthiophen-2-yl)methyl]-4-methylpyridin-2-amine is sourced from PubChem (CID 115735513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).