2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine

C12H15BrN4S — CID 63015656

IUPAC2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1ccc(Br)s1)N1CCn2ccnc2C1
InChIInChI=1S/C12H15BrN4S/c13-11-2-1-10(18-11)9(7-14)17-6-5-16-4-3-15-12(16)8-17/h1-4,9H,5-8,14H2
InChIKeyHOCLRWCMLHXXBO-UHFFFAOYSA-N
MW327.25 g/mol
LogP2.22
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine

2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine (PubChem CID 63015656) has the molecular formula C12H15BrN4S and a molecular weight of 327.25 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
PubChem CID63015656
Molecular FormulaC12H15BrN4S
Molecular Weight327.25 g/mol
Exact Mass326.02
IUPAC Name2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1ccc(Br)s1)N1CCn2ccnc2C1
InChIInChI=1S/C12H15BrN4S/c13-11-2-1-10(18-11)9(7-14)17-6-5-16-4-3-15-12(16)8-17/h1-4,9H,5-8,14H2
InChIKeyHOCLRWCMLHXXBO-UHFFFAOYSA-N
XLogP2.22
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.25
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine (CID 63015656) is 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine is NCC(c1ccc(Br)s1)N1CCn2ccnc2C1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
The InChIKey is HOCLRWCMLHXXBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4S/c13-11-2-1-10(18-11)9(7-14)17-6-5-16-4-3-15-12(16)8-17/h1-4,9H,5-8,14H2.
What are the key properties of 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine has a molecular weight of 327.25 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine is sourced from PubChem (CID 63015656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).