2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine

C12H14Br2N4S — CID 102839160

IUPAC2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)s1)N1CCn2ccnc2C1
InChIInChI=1S/C12H14Br2N4S/c13-8-5-10(19-12(8)14)9(6-15)18-4-3-17-2-1-16-11(17)7-18/h1-2,5,9H,3-4,6-7,15H2
InChIKeyLBWIFVRGHMVEMK-UHFFFAOYSA-N
MW406.15 g/mol
LogP2.99
Rot. Bonds3

About 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine

2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine (PubChem CID 102839160) has the molecular formula C12H14Br2N4S and a molecular weight of 406.15 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
PubChem CID102839160
Molecular FormulaC12H14Br2N4S
Molecular Weight406.15 g/mol
Exact Mass403.93
IUPAC Name2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
SMILESNCC(c1cc(Br)c(Br)s1)N1CCn2ccnc2C1
InChIInChI=1S/C12H14Br2N4S/c13-8-5-10(19-12(8)14)9(6-15)18-4-3-17-2-1-16-11(17)7-18/h1-2,5,9H,3-4,6-7,15H2
InChIKeyLBWIFVRGHMVEMK-UHFFFAOYSA-N
XLogP2.99
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.15
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-bromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 63015656
2-(4,5-dibromothiophen-2-yl)-2-piperidin-1-ylethanamine
CID 102838136
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 63013557
2-(4-butan-2-ylpiperazin-1-yl)-2-(4,5-dibromothiophen-2-yl)ethanamine
CID 102839099
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-1-amine
CID 63015141
2-(1-benzofuran-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine
CID 63898851
2-(4,5-dibromothiophen-2-yl)-2-(4-ethyl-3-methylpiperazin-1-yl)ethanamine
CID 102839249
2-(4,5-dibromothiophen-2-yl)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethanamine
CID 102840044
1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine
CID 63015832
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-methylsulfanylbutan-1-amine
CID 63013371
4-amino-3-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butanamide
CID 66427970
2-(4-bromo-5-chlorothiophen-2-yl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 102838072

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine (CID 102839160) is 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine is NCC(c1cc(Br)c(Br)s1)N1CCn2ccnc2C1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
The InChIKey is LBWIFVRGHMVEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N4S/c13-8-5-10(19-12(8)14)9(6-15)18-4-3-17-2-1-16-11(17)7-18/h1-2,5,9H,3-4,6-7,15H2.
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine?
2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine has a molecular weight of 406.15 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanamine is sourced from PubChem (CID 102839160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).