5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine

C19H22FN3O2 — CID 90310685

IUPAC5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC3CCCO3)c2F)cn1
InChIInChI=1S/C19H22FN3O2/c20-18-15(16-9-23-17(21)10-22-16)7-6-14(12-3-1-4-12)19(18)25-11-13-5-2-8-24-13/h6-7,9-10,12-13H,1-5,8,11H2,(H2,21,23)
InChIKeyKKWBZMCSEGNNLQ-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.69
Rot. Bonds5

About 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine

5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine (PubChem CID 90310685) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine
PubChem CID90310685
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(C3CCC3)c(OCC3CCCO3)c2F)cn1
InChIInChI=1S/C19H22FN3O2/c20-18-15(16-9-23-17(21)10-22-16)7-6-14(12-3-1-4-12)19(18)25-11-13-5-2-8-24-13/h6-7,9-10,12-13H,1-5,8,11H2,(H2,21,23)
InChIKeyKKWBZMCSEGNNLQ-UHFFFAOYSA-N
XLogP3.69
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine (CID 90310685) is 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(C3CCC3)c(OCC3CCCO3)c2F)cn1.
What is the InChIKey of 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine?
The InChIKey is KKWBZMCSEGNNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-18-15(16-9-23-17(21)10-22-16)7-6-14(12-3-1-4-12)19(18)25-11-13-5-2-8-24-13/h6-7,9-10,12-13H,1-5,8,11H2,(H2,21,23).
What are the key properties of 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine?
5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine has a molecular weight of 343.40 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-cyclobutyl-2-fluoro-3-(oxolan-2-ylmethoxy)phenyl]pyrazin-2-amine is sourced from PubChem (CID 90310685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).