2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine

C22H19FN6O — CID 90310913

IUPAC2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3nc(N)c4ccccc4n3)c2F)cn1
InChIInChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
InChIKeyWCCMLGFOOPCMNI-UHFFFAOYSA-N
MW402.43 g/mol
LogP4.45
Rot. Bonds4

About 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine

2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine (PubChem CID 90310913) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine.

Molecular Properties

Compound Name2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine
PubChem CID90310913
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(Oc3nc(N)c4ccccc4n3)c2F)cn1
InChIInChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29)
InChIKeyWCCMLGFOOPCMNI-UHFFFAOYSA-N
XLogP4.45
TPSA112.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-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 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine?
The IUPAC name of 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine (CID 90310913) is 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine.
What is the SMILES notation for 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine?
The canonical SMILES for 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine is Nc1cnc(-c2ccc(C3CCC3)c(Oc3nc(N)c4ccccc4n3)c2F)cn1.
What is the InChIKey of 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine?
The InChIKey is WCCMLGFOOPCMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c23-19-14(17-10-27-18(24)11-26-17)9-8-13(12-4-3-5-12)20(19)30-22-28-16-7-2-1-6-15(16)21(25)29-22/h1-2,6-12H,3-5H2,(H2,24,27)(H2,25,28,29).
What are the key properties of 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine?
2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine has a molecular weight of 402.43 g/mol, XLogP of 4.45, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine is sourced from PubChem (CID 90310913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).