[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine

C12H12FN3O — CID 64853802

IUPAC[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1ccc(F)c(Oc2cnc(CN)cn2)c1
InChIInChI=1S/C12H12FN3O/c1-8-2-3-10(13)11(4-8)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyIYCAQPYDACPSGN-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.18
Rot. Bonds3

About [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine

[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine (PubChem CID 64853802) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine
PubChem CID64853802
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine
SMILESCc1ccc(F)c(Oc2cnc(CN)cn2)c1
InChIInChI=1S/C12H12FN3O/c1-8-2-3-10(13)11(4-8)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3
InChIKeyIYCAQPYDACPSGN-UHFFFAOYSA-N
XLogP2.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine?
The IUPAC name of [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine (CID 64853802) is [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine.
What is the SMILES notation for [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine?
The canonical SMILES for [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine is Cc1ccc(F)c(Oc2cnc(CN)cn2)c1.
What is the InChIKey of [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine?
The InChIKey is IYCAQPYDACPSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-8-2-3-10(13)11(4-8)17-12-7-15-9(5-14)6-16-12/h2-4,6-7H,5,14H2,1H3.
What are the key properties of [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine?
[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine has a molecular weight of 233.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methanamine is sourced from PubChem (CID 64853802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).