[2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine

C13H14FN3O — CID 65418637

IUPAC[2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine
SMILESCc1cnc(C)c(Oc2cccc(F)c2CN)n1
InChIInChI=1S/C13H14FN3O/c1-8-7-16-9(2)13(17-8)18-12-5-3-4-11(14)10(12)6-15/h3-5,7H,6,15H2,1-2H3
InChIKeyKDHQHOCBOSMVLM-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.48
Rot. Bonds3

About [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine

[2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine (PubChem CID 65418637) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine.

Molecular Properties

Compound Name[2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine
PubChem CID65418637
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name[2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine
SMILESCc1cnc(C)c(Oc2cccc(F)c2CN)n1
InChIInChI=1S/C13H14FN3O/c1-8-7-16-9(2)13(17-8)18-12-5-3-4-11(14)10(12)6-15/h3-5,7H,6,15H2,1-2H3
InChIKeyKDHQHOCBOSMVLM-UHFFFAOYSA-N
XLogP2.48
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine?
The IUPAC name of [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine (CID 65418637) is [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine.
What is the SMILES notation for [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine?
The canonical SMILES for [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine is Cc1cnc(C)c(Oc2cccc(F)c2CN)n1.
What is the InChIKey of [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine?
The InChIKey is KDHQHOCBOSMVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-7-16-9(2)13(17-8)18-12-5-3-4-11(14)10(12)6-15/h3-5,7H,6,15H2,1-2H3.
What are the key properties of [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine?
[2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine has a molecular weight of 247.27 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,6-dimethylpyrazin-2-yl)oxy-6-fluorophenyl]methanamine is sourced from PubChem (CID 65418637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).