8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine

C13H11BrN4O — CID 80879807

IUPAC8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCc1cc(Br)ccc1Oc1nc(N)cn2ccnc12
InChIInChI=1S/C13H11BrN4O/c1-8-6-9(14)2-3-10(8)19-13-12-16-4-5-18(12)7-11(15)17-13/h2-7H,15H2,1H3
InChIKeyORAQZJHOHPXMDJ-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.17
Rot. Bonds2

About 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine

8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine (PubChem CID 80879807) has the molecular formula C13H11BrN4O and a molecular weight of 319.16 g/mol. Its IUPAC name is 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine.

Molecular Properties

Compound Name8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
PubChem CID80879807
Molecular FormulaC13H11BrN4O
Molecular Weight319.16 g/mol
Exact Mass318.01
IUPAC Name8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine
SMILESCc1cc(Br)ccc1Oc1nc(N)cn2ccnc12
InChIInChI=1S/C13H11BrN4O/c1-8-6-9(14)2-3-10(8)19-13-12-16-4-5-18(12)7-11(15)17-13/h2-7H,15H2,1H3
InChIKeyORAQZJHOHPXMDJ-UHFFFAOYSA-N
XLogP3.17
TPSA65.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
The IUPAC name of 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine (CID 80879807) is 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine.
What is the SMILES notation for 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
The canonical SMILES for 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine is Cc1cc(Br)ccc1Oc1nc(N)cn2ccnc12.
What is the InChIKey of 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
The InChIKey is ORAQZJHOHPXMDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN4O/c1-8-6-9(14)2-3-10(8)19-13-12-16-4-5-18(12)7-11(15)17-13/h2-7H,15H2,1H3.
What are the key properties of 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine?
8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine has a molecular weight of 319.16 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-bromo-2-methylphenoxy)imidazo[1,2-a]pyrazin-6-amine is sourced from PubChem (CID 80879807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).