2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol

C16H18FN3O2 — CID 90310858

IUPAC2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCCO)c2F)cn1
InChIInChI=1S/C16H18FN3O2/c17-15-12(13-8-20-14(18)9-19-13)5-4-11(10-2-1-3-10)16(15)22-7-6-21/h4-5,8-10,21H,1-3,6-7H2,(H2,18,20)
InChIKeyWOICOPKHKZTUJU-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.50
Rot. Bonds5

About 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol

2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol (PubChem CID 90310858) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol.

Molecular Properties

Compound Name2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol
PubChem CID90310858
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCCO)c2F)cn1
InChIInChI=1S/C16H18FN3O2/c17-15-12(13-8-20-14(18)9-19-13)5-4-11(10-2-1-3-10)16(15)22-7-6-21/h4-5,8-10,21H,1-3,6-7H2,(H2,18,20)
InChIKeyWOICOPKHKZTUJU-UHFFFAOYSA-N
XLogP2.50
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol?
The IUPAC name of 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol (CID 90310858) is 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol.
What is the SMILES notation for 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol?
The canonical SMILES for 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol is Nc1cnc(-c2ccc(C3CCC3)c(OCCO)c2F)cn1.
What is the InChIKey of 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol?
The InChIKey is WOICOPKHKZTUJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c17-15-12(13-8-20-14(18)9-19-13)5-4-11(10-2-1-3-10)16(15)22-7-6-21/h4-5,8-10,21H,1-3,6-7H2,(H2,18,20).
What are the key properties of 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol?
2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol has a molecular weight of 303.34 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]ethanol is sourced from PubChem (CID 90310858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).