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

C18H17FN6O — CID 90310639

IUPAC3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3nccnc3N)c2F)cn1
InChIInChI=1S/C18H17FN6O/c19-15-12(13-8-25-14(20)9-24-13)5-4-11(10-2-1-3-10)16(15)26-18-17(21)22-6-7-23-18/h4-10H,1-3H2,(H2,20,25)(H2,21,22)
InChIKeyAPZFPGVWCVGFRP-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.30
Rot. Bonds4

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

3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine (PubChem CID 90310639) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine.

Molecular Properties

Compound Name3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine
PubChem CID90310639
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3nccnc3N)c2F)cn1
InChIInChI=1S/C18H17FN6O/c19-15-12(13-8-25-14(20)9-24-13)5-4-11(10-2-1-3-10)16(15)26-18-17(21)22-6-7-23-18/h4-10H,1-3H2,(H2,20,25)(H2,21,22)
InChIKeyAPZFPGVWCVGFRP-UHFFFAOYSA-N
XLogP3.30
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine?
The IUPAC name of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine (CID 90310639) is 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine.
What is the SMILES notation for 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine?
The canonical SMILES for 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine is Nc1cnc(-c2ccc(C3CCC3)c(Oc3nccnc3N)c2F)cn1.
What is the InChIKey of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine?
The InChIKey is APZFPGVWCVGFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c19-15-12(13-8-25-14(20)9-24-13)5-4-11(10-2-1-3-10)16(15)26-18-17(21)22-6-7-23-18/h4-10H,1-3H2,(H2,20,25)(H2,21,22).
What are the key properties of 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine?
3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine has a molecular weight of 352.37 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]pyrazin-2-amine is sourced from PubChem (CID 90310639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).