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

C13H15FN4 — CID 103590364

IUPAC2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline
SMILESCc1cc(N2CCn3ccnc3C2)c(N)cc1F
InChIInChI=1S/C13H15FN4/c1-9-6-12(11(15)7-10(9)14)18-5-4-17-3-2-16-13(17)8-18/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyYAKSMHFJNNFOPM-UHFFFAOYSA-N
MW246.29 g/mol
LogP1.93
Rot. Bonds1

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

2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline (PubChem CID 103590364) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline.

Molecular Properties

Compound Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline
PubChem CID103590364
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC Name2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline
SMILESCc1cc(N2CCn3ccnc3C2)c(N)cc1F
InChIInChI=1S/C13H15FN4/c1-9-6-12(11(15)7-10(9)14)18-5-4-17-3-2-16-13(17)8-18/h2-3,6-7H,4-5,8,15H2,1H3
InChIKeyYAKSMHFJNNFOPM-UHFFFAOYSA-N
XLogP1.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline?
The IUPAC name of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline (CID 103590364) is 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline.
What is the SMILES notation for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline?
The canonical SMILES for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline is Cc1cc(N2CCn3ccnc3C2)c(N)cc1F.
What is the InChIKey of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline?
The InChIKey is YAKSMHFJNNFOPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-9-6-12(11(15)7-10(9)14)18-5-4-17-3-2-16-13(17)8-18/h2-3,6-7H,4-5,8,15H2,1H3.
What are the key properties of 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline?
2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline has a molecular weight of 246.29 g/mol, XLogP of 1.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-5-fluoro-4-methylaniline is sourced from PubChem (CID 103590364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).