6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

C16H17BrN4 — CID 79954137

IUPAC6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)c1ccc(CNc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C16H17BrN4/c1-11(2)13-5-3-12(4-6-13)9-19-15-16-18-7-8-21(16)10-14(17)20-15/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyGADVGQROYHSLIZ-UHFFFAOYSA-N
MW345.24 g/mol
LogP4.23
Rot. Bonds4

About 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79954137) has the molecular formula C16H17BrN4 and a molecular weight of 345.24 g/mol. Its IUPAC name is 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID79954137
Molecular FormulaC16H17BrN4
Molecular Weight345.24 g/mol
Exact Mass344.06
IUPAC Name6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCC(C)c1ccc(CNc2nc(Br)cn3ccnc23)cc1
InChIInChI=1S/C16H17BrN4/c1-11(2)13-5-3-12(4-6-13)9-19-15-16-18-7-8-21(16)10-14(17)20-15/h3-8,10-11H,9H2,1-2H3,(H,19,20)
InChIKeyGADVGQROYHSLIZ-UHFFFAOYSA-N
XLogP4.23
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 79954137) is 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is CC(C)c1ccc(CNc2nc(Br)cn3ccnc23)cc1.
What is the InChIKey of 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is GADVGQROYHSLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4/c1-11(2)13-5-3-12(4-6-13)9-19-15-16-18-7-8-21(16)10-14(17)20-15/h3-8,10-11H,9H2,1-2H3,(H,19,20).
What are the key properties of 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 345.24 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(4-propan-2-ylphenyl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79954137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).