5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine

C11H9F2N3O — CID 178183762

IUPAC5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine
SMILESCOc1nc(-c2ccc(F)c(F)c2)cnc1N
InChIInChI=1S/C11H9F2N3O/c1-17-11-10(14)15-5-9(16-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15)
InChIKeyQGLMHITULXFUEP-UHFFFAOYSA-N
MW237.21 g/mol
LogP2.01
Rot. Bonds2

About 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine

5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine (PubChem CID 178183762) has the molecular formula C11H9F2N3O and a molecular weight of 237.21 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine
PubChem CID178183762
Molecular FormulaC11H9F2N3O
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine
SMILESCOc1nc(-c2ccc(F)c(F)c2)cnc1N
InChIInChI=1S/C11H9F2N3O/c1-17-11-10(14)15-5-9(16-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15)
InChIKeyQGLMHITULXFUEP-UHFFFAOYSA-N
XLogP2.01
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine?
The IUPAC name of 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine (CID 178183762) is 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine.
What is the SMILES notation for 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine?
The canonical SMILES for 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine is COc1nc(-c2ccc(F)c(F)c2)cnc1N.
What is the InChIKey of 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine?
The InChIKey is QGLMHITULXFUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N3O/c1-17-11-10(14)15-5-9(16-11)6-2-3-7(12)8(13)4-6/h2-5H,1H3,(H2,14,15).
What are the key properties of 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine?
5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine has a molecular weight of 237.21 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)-3-methoxypyrazin-2-amine is sourced from PubChem (CID 178183762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).