2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile

C13H9BrN6 — CID 107801734

IUPAC2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(N)cn2ccnc12
InChIInChI=1S/C13H9BrN6/c14-9-2-1-8(6-15)10(5-9)18-12-13-17-3-4-20(13)7-11(16)19-12/h1-5,7H,16H2,(H,18,19)
InChIKeyKHLISYAIUAJWCI-UHFFFAOYSA-N
MW329.16 g/mol
LogP2.69
Rot. Bonds2

About 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile

2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile (PubChem CID 107801734) has the molecular formula C13H9BrN6 and a molecular weight of 329.16 g/mol. Its IUPAC name is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile.

Molecular Properties

Compound Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile
PubChem CID107801734
Molecular FormulaC13H9BrN6
Molecular Weight329.16 g/mol
Exact Mass328.01
IUPAC Name2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile
SMILESN#Cc1ccc(Br)cc1Nc1nc(N)cn2ccnc12
InChIInChI=1S/C13H9BrN6/c14-9-2-1-8(6-15)10(5-9)18-12-13-17-3-4-20(13)7-11(16)19-12/h1-5,7H,16H2,(H,18,19)
InChIKeyKHLISYAIUAJWCI-UHFFFAOYSA-N
XLogP2.69
TPSA92.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.16
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile?
The IUPAC name of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile (CID 107801734) is 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile.
What is the SMILES notation for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile?
The canonical SMILES for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile is N#Cc1ccc(Br)cc1Nc1nc(N)cn2ccnc12.
What is the InChIKey of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile?
The InChIKey is KHLISYAIUAJWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrN6/c14-9-2-1-8(6-15)10(5-9)18-12-13-17-3-4-20(13)7-11(16)19-12/h1-5,7H,16H2,(H,18,19).
What are the key properties of 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile?
2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile has a molecular weight of 329.16 g/mol, XLogP of 2.69, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-aminoimidazo[1,2-a]pyrazin-8-yl)amino]-4-bromobenzonitrile is sourced from PubChem (CID 107801734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).