6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine

C13H18BrN5 — CID 79955875

IUPAC6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCCN1CCCC1CNc1nc(Br)cn2ccnc12
InChIInChI=1S/C13H18BrN5/c1-2-18-6-3-4-10(18)8-16-12-13-15-5-7-19(13)9-11(14)17-12/h5,7,9-10H,2-4,6,8H2,1H3,(H,16,17)
InChIKeyOGLCVXZPDGPPTP-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.39
Rot. Bonds4

About 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine

6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine (PubChem CID 79955875) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
PubChem CID79955875
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
SMILESCCN1CCCC1CNc1nc(Br)cn2ccnc12
InChIInChI=1S/C13H18BrN5/c1-2-18-6-3-4-10(18)8-16-12-13-15-5-7-19(13)9-11(14)17-12/h5,7,9-10H,2-4,6,8H2,1H3,(H,16,17)
InChIKeyOGLCVXZPDGPPTP-UHFFFAOYSA-N
XLogP2.39
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylpyrrolidin-2-yl)methyl]-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 80944375
6-bromo-N-[(2-methylcyclopentyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 107420085
3-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]cyclohexan-1-ol
CID 106137338
6-bromo-N-(oxan-3-ylmethyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946607
6-bromo-N-[(1-ethylcyclopentyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 114126338
6-bromo-N-hexylimidazo[1,2-a]pyrazin-8-amine
CID 79946477
6-bromo-N-[(1-methoxycyclobutyl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 114120554
1-[(1-ethylpyrrolidin-2-yl)methylamino]isoquinolin-7-ol
CID 106537369
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80777082
6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946641
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylpyrimidin-4-amine
CID 135100956
6-bromo-N-[(1-methylpyrazol-4-yl)methyl]imidazo[1,2-a]pyrazin-8-amine
CID 79947519

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine (CID 79955875) is 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine is CCN1CCCC1CNc1nc(Br)cn2ccnc12.
What is the InChIKey of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is OGLCVXZPDGPPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-2-18-6-3-4-10(18)8-16-12-13-15-5-7-19(13)9-11(14)17-12/h5,7,9-10H,2-4,6,8H2,1H3,(H,16,17).
What are the key properties of 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine?
6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 324.23 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 79955875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).