6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine

C15H15BrN4O — CID 79953825

IUPAC6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(CN(C)c2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C15H15BrN4O/c1-19(9-11-3-5-12(21-2)6-4-11)15-14-17-7-8-20(14)10-13(16)18-15/h3-8,10H,9H2,1-2H3
InChIKeyFRYIURCYBVCYSE-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.14
Rot. Bonds4

About 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine (PubChem CID 79953825) has the molecular formula C15H15BrN4O and a molecular weight of 347.22 g/mol. Its IUPAC name is 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
PubChem CID79953825
Molecular FormulaC15H15BrN4O
Molecular Weight347.22 g/mol
Exact Mass346.04
IUPAC Name6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(CN(C)c2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C15H15BrN4O/c1-19(9-11-3-5-12(21-2)6-4-11)15-14-17-7-8-20(14)10-13(16)18-15/h3-8,10H,9H2,1-2H3
InChIKeyFRYIURCYBVCYSE-UHFFFAOYSA-N
XLogP3.14
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine (CID 79953825) is 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine is COc1ccc(CN(C)c2nc(Br)cn3ccnc23)cc1.
What is the InChIKey of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
The InChIKey is FRYIURCYBVCYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O/c1-19(9-11-3-5-12(21-2)6-4-11)15-14-17-7-8-20(14)10-13(16)18-15/h3-8,10H,9H2,1-2H3.
What are the key properties of 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine has a molecular weight of 347.22 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-methoxyphenyl)methyl]-N-methylimidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79953825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).