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

C13H12BrN5 — CID 107584721

IUPACN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C13H12BrN5/c1-9-2-10(4-15-3-9)16-5-11-6-18-13-7-17-12(14)8-19(11)13/h2-4,6-8,16H,5H2,1H3
InChIKeyGMJIZIJFNFTMSA-UHFFFAOYSA-N
MW318.18 g/mol
LogP2.81
Rot. Bonds3

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

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine (PubChem CID 107584721) has the molecular formula C13H12BrN5 and a molecular weight of 318.18 g/mol. Its IUPAC name is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine.

Molecular Properties

Compound NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine
PubChem CID107584721
Molecular FormulaC13H12BrN5
Molecular Weight318.18 g/mol
Exact Mass317.03
IUPAC NameN-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine
SMILESCc1cncc(NCc2cnc3cnc(Br)cn23)c1
InChIInChI=1S/C13H12BrN5/c1-9-2-10(4-15-3-9)16-5-11-6-18-13-7-17-12(14)8-19(11)13/h2-4,6-8,16H,5H2,1H3
InChIKeyGMJIZIJFNFTMSA-UHFFFAOYSA-N
XLogP2.81
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-methylaniline
CID 79175722
3-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]benzamide
CID 79165688
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,6-dichloroaniline
CID 79164376
methyl 2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanoate
CID 79165276
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-chloro-2-fluoroaniline
CID 79175921
4-bromo-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2-fluoroaniline
CID 79177055
2-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methylamino]-2-methylpropanamide
CID 79165909
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-2,3-difluoroaniline
CID 79164556
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106369618
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]cyclooctanamine
CID 79175819
1-(6-bromoimidazo[1,2-a]pyrazin-3-yl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 114107215
2-N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945103

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine?
The IUPAC name of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine (CID 107584721) is N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine.
What is the SMILES notation for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine?
The canonical SMILES for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine is Cc1cncc(NCc2cnc3cnc(Br)cn23)c1.
What is the InChIKey of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine?
The InChIKey is GMJIZIJFNFTMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN5/c1-9-2-10(4-15-3-9)16-5-11-6-18-13-7-17-12(14)8-19(11)13/h2-4,6-8,16H,5H2,1H3.
What are the key properties of N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine?
N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine has a molecular weight of 318.18 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromoimidazo[1,2-a]pyrazin-3-yl)methyl]-5-methylpyridin-3-amine is sourced from PubChem (CID 107584721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).