6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine

C13H23FN4O3 — CID 177356997

IUPAC6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine
SMILESCC(F)(COCCOCCOCCN)c1cncc(N)n1
InChIInChI=1S/C13H23FN4O3/c1-13(14,11-8-17-9-12(16)18-11)10-21-7-6-20-5-4-19-3-2-15/h8-9H,2-7,10,15H2,1H3,(H2,16,18)
InChIKeyYXIFQETVTSXFRT-UHFFFAOYSA-N
MW302.35 g/mol
LogP0.25
Rot. Bonds11

About 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine

6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine (PubChem CID 177356997) has the molecular formula C13H23FN4O3 and a molecular weight of 302.35 g/mol. Its IUPAC name is 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine.

Molecular Properties

Compound Name6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine
PubChem CID177356997
Molecular FormulaC13H23FN4O3
Molecular Weight302.35 g/mol
Exact Mass302.18
IUPAC Name6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine
SMILESCC(F)(COCCOCCOCCN)c1cncc(N)n1
InChIInChI=1S/C13H23FN4O3/c1-13(14,11-8-17-9-12(16)18-11)10-21-7-6-20-5-4-19-3-2-15/h8-9H,2-7,10,15H2,1H3,(H2,16,18)
InChIKeyYXIFQETVTSXFRT-UHFFFAOYSA-N
XLogP0.25
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 50.25
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 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine?
The IUPAC name of 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine (CID 177356997) is 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine.
What is the SMILES notation for 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine?
The canonical SMILES for 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine is CC(F)(COCCOCCOCCN)c1cncc(N)n1.
What is the InChIKey of 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine?
The InChIKey is YXIFQETVTSXFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23FN4O3/c1-13(14,11-8-17-9-12(16)18-11)10-21-7-6-20-5-4-19-3-2-15/h8-9H,2-7,10,15H2,1H3,(H2,16,18).
What are the key properties of 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine?
6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine has a molecular weight of 302.35 g/mol, XLogP of 0.25, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]-2-fluoropropan-2-yl]pyrazin-2-amine is sourced from PubChem (CID 177356997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).