N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline

C14H12BrClN4 — CID 79175722

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H12BrClN4/c1-9-2-3-10(16)4-12(9)17-5-11-6-19-14-7-18-13(15)8-20(11)14/h2-4,6-8,17H,5H2,1H3
InChIKeyDQJNNWFBYFOIFB-UHFFFAOYSA-N
MW351.64 g/mol
LogP4.07
Rot. Bonds3

About N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline (PubChem CID 79175722) has the molecular formula C14H12BrClN4 and a molecular weight of 351.64 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
PubChem CID79175722
Molecular FormulaC14H12BrClN4
Molecular Weight351.64 g/mol
Exact Mass349.99
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
SMILESCc1ccc(Cl)cc1NCc1cnc2cnc(Br)cn12
InChIInChI=1S/C14H12BrClN4/c1-9-2-3-10(16)4-12(9)17-5-11-6-19-14-7-18-13(15)8-20(11)14/h2-4,6-8,17H,5H2,1H3
InChIKeyDQJNNWFBYFOIFB-UHFFFAOYSA-N
XLogP4.07
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.64
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
CID 79175921
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
CID 79164556
1-(5-bromo-2-fluorophenyl)-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]methanamine
CID 79166858
5-chloro-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663113
5-chloro-2-methyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]aniline
CID 66130068
2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide
CID 79165909
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-(5-chlorothiophen-2-yl)ethanamine
CID 79165899
3-[[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]methyl]benzonitrile
CID 79165705
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methylaniline
CID 83235718
5-chloro-2-methyl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 62758474
5-chloro-N-[(2,6-dichlorophenyl)methyl]-2-methylaniline
CID 29273451
methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate
CID 79165276

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline (CID 79175722) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline is Cc1ccc(Cl)cc1NCc1cnc2cnc(Br)cn12.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline?
The InChIKey is DQJNNWFBYFOIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN4/c1-9-2-3-10(16)4-12(9)17-5-11-6-19-14-7-18-13(15)8-20(11)14/h2-4,6-8,17H,5H2,1H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline has a molecular weight of 351.64 g/mol, XLogP of 4.07, 3 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]-5-chloro-2-methylaniline is sourced from PubChem (CID 79175722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).