3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine

C12H12FN3O — CID 82810797

IUPAC3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1cccc(OC)c1F
InChIInChI=1S/C12H12FN3O/c1-14-12-11(15-6-7-16-12)8-4-3-5-9(17-2)10(8)13/h3-7H,1-2H3,(H,14,16)
InChIKeyXAXNKSKRZOGMFM-UHFFFAOYSA-N
MW233.25 g/mol
LogP2.33
Rot. Bonds3

About 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine

3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine (PubChem CID 82810797) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine.

Molecular Properties

Compound Name3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine
PubChem CID82810797
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine
SMILESCNc1nccnc1-c1cccc(OC)c1F
InChIInChI=1S/C12H12FN3O/c1-14-12-11(15-6-7-16-12)8-4-3-5-9(17-2)10(8)13/h3-7H,1-2H3,(H,14,16)
InChIKeyXAXNKSKRZOGMFM-UHFFFAOYSA-N
XLogP2.33
TPSA47.04 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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine?
The IUPAC name of 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine (CID 82810797) is 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine.
What is the SMILES notation for 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine?
The canonical SMILES for 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine is CNc1nccnc1-c1cccc(OC)c1F.
What is the InChIKey of 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine?
The InChIKey is XAXNKSKRZOGMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c1-14-12-11(15-6-7-16-12)8-4-3-5-9(17-2)10(8)13/h3-7H,1-2H3,(H,14,16).
What are the key properties of 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine?
3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine has a molecular weight of 233.25 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methoxyphenyl)-N-methylpyrazin-2-amine is sourced from PubChem (CID 82810797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).