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

C12H12BrFN4 — CID 66111141

IUPAC5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1N1CCn2ccnc2C1
InChIInChI=1S/C12H12BrFN4/c13-8-5-10(15)11(6-9(8)14)18-4-3-17-2-1-16-12(17)7-18/h1-2,5-6H,3-4,7,15H2
InChIKeyYLELFLMIQUGPLI-UHFFFAOYSA-N
MW311.16 g/mol
LogP2.39
Rot. Bonds1

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

5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline (PubChem CID 66111141) has the molecular formula C12H12BrFN4 and a molecular weight of 311.16 g/mol. Its IUPAC name is 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline.

Molecular Properties

Compound Name5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
PubChem CID66111141
Molecular FormulaC12H12BrFN4
Molecular Weight311.16 g/mol
Exact Mass310.02
IUPAC Name5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline
SMILESNc1cc(Br)c(F)cc1N1CCn2ccnc2C1
InChIInChI=1S/C12H12BrFN4/c13-8-5-10(15)11(6-9(8)14)18-4-3-17-2-1-16-12(17)7-18/h1-2,5-6H,3-4,7,15H2
InChIKeyYLELFLMIQUGPLI-UHFFFAOYSA-N
XLogP2.39
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.16
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

CID 2735604
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CID 312096
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CID 64723939
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CID 84596515
CID 84596515
CID 146283181
CID 146283181
CID 132315860
CID 132315860
CID 79306928
CID 79306928
CID 132307381
CID 132307381
CID 21942530
CID 21942530
CID 22280758
CID 22280758
CID 22329507
CID 22329507

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline?
The IUPAC name of 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline (CID 66111141) is 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline.
What is the SMILES notation for 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline?
The canonical SMILES for 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline is Nc1cc(Br)c(F)cc1N1CCn2ccnc2C1.
What is the InChIKey of 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline?
The InChIKey is YLELFLMIQUGPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN4/c13-8-5-10(15)11(6-9(8)14)18-4-3-17-2-1-16-12(17)7-18/h1-2,5-6H,3-4,7,15H2.
What are the key properties of 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline?
5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline has a molecular weight of 311.16 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-fluoroaniline is sourced from PubChem (CID 66111141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).