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

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Related Compounds

6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
[3-Ethoxy-5-(3-fluoro-phenyl)-pyridin-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 11267265
5-(4-Cyclobutyl-2-fluoro-3-(pyrimidin-2-yloxy)phenyl)pyrazin-2-amine
CID 77050696
6-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-benzylpyrimidin-4-amine
CID 76900002
5-{4-Cyclobutyl-2-fluoro-3-[(4-phenylpyrimidin-2-yl)oxy]phenyl}pyrazin-2-amine
CID 77844745
4-[3-(5-aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-N,6-dimethylpyrimidin-2-amine
CID 90310615
6-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]-2-methoxypyrimidin-4-amine
CID 90310811
2-[3-(5-Aminopyrazin-2-yl)-6-cyclobutyl-2-fluorophenoxy]quinazolin-4-amine
CID 90310913
6-[2-[4-(5-Aminopyrazin-2-yl)-3-fluorophenyl]phenoxy]pyrimidin-4-amine
CID 90313662
3-N-{[3-(5-propoxypyridin-3-yl)phenyl]methyl}pyridine-2,3-diamine
CID 11681539
6-[6-(3-Carbamimidoyl-phenoxy)-pyrazin-2-yloxy]-pyridine-2-carboxamidine
CID 44293746
(3-Ethoxy-5-p-tolyl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404888

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).