5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine

C20H21FN6O — CID 90310674

IUPAC5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCCNc3cnccn3)c2F)cn1
InChIInChI=1S/C20H21FN6O/c21-19-15(16-10-27-17(22)11-26-16)5-4-14(13-2-1-3-13)20(19)28-9-8-25-18-12-23-6-7-24-18/h4-7,10-13H,1-3,8-9H2,(H2,22,27)(H,24,25)
InChIKeyOLOSIZLWNDAXQD-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.41
Rot. Bonds7

About 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine

5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine (PubChem CID 90310674) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine
PubChem CID90310674
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCCNc3cnccn3)c2F)cn1
InChIInChI=1S/C20H21FN6O/c21-19-15(16-10-27-17(22)11-26-16)5-4-14(13-2-1-3-13)20(19)28-9-8-25-18-12-23-6-7-24-18/h4-7,10-13H,1-3,8-9H2,(H2,22,27)(H,24,25)
InChIKeyOLOSIZLWNDAXQD-UHFFFAOYSA-N
XLogP3.41
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine (CID 90310674) is 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(C3CCC3)c(OCCNc3cnccn3)c2F)cn1.
What is the InChIKey of 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine?
The InChIKey is OLOSIZLWNDAXQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-19-15(16-10-27-17(22)11-26-16)5-4-14(13-2-1-3-13)20(19)28-9-8-25-18-12-23-6-7-24-18/h4-7,10-13H,1-3,8-9H2,(H2,22,27)(H,24,25).
What are the key properties of 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine?
5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine has a molecular weight of 380.43 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclobutyl-2-fluoro-3-[2-(pyrazin-2-ylamino)ethoxy]phenyl]pyrazin-2-amine is sourced from PubChem (CID 90310674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).