3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol

C11H15BrN4OS — CID 106311300

IUPAC3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H15BrN4OS/c12-9-8-16-4-2-14-11(16)10(15-9)13-3-7-18-6-1-5-17/h2,4,8,17H,1,3,5-7H2,(H,13,15)
InChIKeyFKIGICPPSJCGHG-UHFFFAOYSA-N
MW331.24 g/mol
LogP2.02
Rot. Bonds7

About 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol

3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol (PubChem CID 106311300) has the molecular formula C11H15BrN4OS and a molecular weight of 331.24 g/mol. Its IUPAC name is 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol.

Molecular Properties

Compound Name3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol
PubChem CID106311300
Molecular FormulaC11H15BrN4OS
Molecular Weight331.24 g/mol
Exact Mass330.01
IUPAC Name3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol
SMILESOCCCSCCNc1nc(Br)cn2ccnc12
InChIInChI=1S/C11H15BrN4OS/c12-9-8-16-4-2-14-11(16)10(15-9)13-3-7-18-6-1-5-17/h2,4,8,17H,1,3,5-7H2,(H,13,15)
InChIKeyFKIGICPPSJCGHG-UHFFFAOYSA-N
XLogP2.02
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-bromo-N-hexylimidazo[1,2-a]pyrazin-8-amine
CID 79946477
6-bromo-N-(4-methylpentyl)imidazo[1,2-a]pyrazin-8-amine
CID 79946641
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propanamide
CID 79958127
3-[2-([1,2,4]triazolo[4,3-a]pyrazin-8-ylamino)ethylsulfanyl]propan-1-ol
CID 103710809
6-bromo-N-(2,2-dimethylpropyl)imidazo[1,2-a]pyrazin-8-amine
CID 79958300
N-[3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]propyl]-N-ethylmethanesulfonamide
CID 106193384
3-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-2-methylpropan-1-ol
CID 79947296
2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]-N,N-dimethylacetamide
CID 79956326
3-[2-(3-hydroxypropylsulfanyl)ethylamino]-1-methylpyrazin-2-one
CID 103696656
6-bromo-N-(2-methoxypropyl)imidazo[1,2-a]pyrazin-8-amine
CID 102699944
3-[2-(pyrazolo[1,5-a]pyrazin-4-ylamino)ethylsulfanyl]propan-1-ol
CID 106307415
3-[[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]methyl]cyclohexan-1-ol
CID 106137338

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol?
The IUPAC name of 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol (CID 106311300) is 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol.
What is the SMILES notation for 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol?
The canonical SMILES for 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol is OCCCSCCNc1nc(Br)cn2ccnc12.
What is the InChIKey of 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol?
The InChIKey is FKIGICPPSJCGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN4OS/c12-9-8-16-4-2-14-11(16)10(15-9)13-3-7-18-6-1-5-17/h2,4,8,17H,1,3,5-7H2,(H,13,15).
What are the key properties of 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol?
3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol has a molecular weight of 331.24 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]ethylsulfanyl]propan-1-ol is sourced from PubChem (CID 106311300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).