N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine

C16H17BrN4 — CID 79165689

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C16H17BrN4/c1-11-5-3-4-6-14(11)12(2)18-7-13-8-20-16-9-19-15(17)10-21(13)16/h3-6,8-10,12,18H,7H2,1-2H3
InChIKeyJGKXWOHGITYOIC-UHFFFAOYSA-N
MW345.24 g/mol
LogP3.65
Rot. Bonds4

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine (PubChem CID 79165689) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine
PubChem CID79165689
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine
SMILESCc1ccccc1C(C)NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C16H17BrN4/c1-11-5-3-4-6-14(11)12(2)18-7-13-8-20-16-9-19-15(17)10-21(13)16/h3-6,8-10,12,18H,7H2,1-2H3
InChIKeyJGKXWOHGITYOIC-UHFFFAOYSA-N
XLogP3.65
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine (CID 79165689) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine is Cc1ccccc1C(C)NCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
The InChIKey is JGKXWOHGITYOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-11-5-3-4-6-14(11)12(2)18-7-13-8-20-16-9-19-15(17)10-21(13)16/h3-6,8-10,12,18H,7H2,1-2H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine has a molecular weight of 345.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(2-methylphenyl)ethanamine is sourced from PubChem (CID 79165689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).