6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine

C13H13BrN4O — CID 79958014

IUPAC6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ccc(C(C)Nc2nc(Br)cn3ccnc23)o1
InChIInChI=1S/C13H13BrN4O/c1-8-3-4-10(19-8)9(2)16-12-13-15-5-6-18(13)7-11(14)17-12/h3-7,9H,1-2H3,(H,16,17)
InChIKeyAZQQLUOEJNGBRT-UHFFFAOYSA-N
MW321.18 g/mol
LogP3.57
Rot. Bonds3

About 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79958014) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID79958014
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCc1ccc(C(C)Nc2nc(Br)cn3ccnc23)o1
InChIInChI=1S/C13H13BrN4O/c1-8-3-4-10(19-8)9(2)16-12-13-15-5-6-18(13)7-11(14)17-12/h3-7,9H,1-2H3,(H,16,17)
InChIKeyAZQQLUOEJNGBRT-UHFFFAOYSA-N
XLogP3.57
TPSA55.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine (CID 79958014) is 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine is Cc1ccc(C(C)Nc2nc(Br)cn3ccnc23)o1.
What is the InChIKey of 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is AZQQLUOEJNGBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-8-3-4-10(19-8)9(2)16-12-13-15-5-6-18(13)7-11(14)17-12/h3-7,9H,1-2H3,(H,16,17).
What are the key properties of 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 321.18 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[1-(5-methylfuran-2-yl)ethyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79958014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).