1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine

C13H17BrN4S — CID 63015832

IUPAC1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine
SMILESCC(N)C(c1cc(Br)cs1)N1CCn2ccnc2C1
InChIInChI=1S/C13H17BrN4S/c1-9(15)13(11-6-10(14)8-19-11)18-5-4-17-3-2-16-12(17)7-18/h2-3,6,8-9,13H,4-5,7,15H2,1H3
InChIKeyATILKNLUOZWSPF-UHFFFAOYSA-N
MW341.28 g/mol
LogP2.61
Rot. Bonds3

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

1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine (PubChem CID 63015832) has the molecular formula C13H17BrN4S and a molecular weight of 341.28 g/mol. Its IUPAC name is 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine
PubChem CID63015832
Molecular FormulaC13H17BrN4S
Molecular Weight341.28 g/mol
Exact Mass340.04
IUPAC Name1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine
SMILESCC(N)C(c1cc(Br)cs1)N1CCn2ccnc2C1
InChIInChI=1S/C13H17BrN4S/c1-9(15)13(11-6-10(14)8-19-11)18-5-4-17-3-2-16-12(17)7-18/h2-3,6,8-9,13H,4-5,7,15H2,1H3
InChIKeyATILKNLUOZWSPF-UHFFFAOYSA-N
XLogP2.61
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.28
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine?
The IUPAC name of 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine (CID 63015832) is 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine.
What is the SMILES notation for 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine?
The canonical SMILES for 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine is CC(N)C(c1cc(Br)cs1)N1CCn2ccnc2C1.
What is the InChIKey of 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine?
The InChIKey is ATILKNLUOZWSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4S/c1-9(15)13(11-6-10(14)8-19-11)18-5-4-17-3-2-16-12(17)7-18/h2-3,6,8-9,13H,4-5,7,15H2,1H3.
What are the key properties of 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine?
1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine has a molecular weight of 341.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromothiophen-2-yl)-1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)propan-2-amine is sourced from PubChem (CID 63015832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).