2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol

C19H18FN3O2 — CID 164628976

IUPAC2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESCOc1cc(F)ccc1-c1cncc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C19H18FN3O2/c1-25-18-9-14(20)7-8-15(18)16-10-21-11-19(22-16)23-17(12-24)13-5-3-2-4-6-13/h2-11,17,24H,12H2,1H3,(H,22,23)
InChIKeyDWPNZZXUEHGXCY-UHFFFAOYSA-N
MW339.37 g/mol
LogP3.44
Rot. Bonds6

About 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol

2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol (PubChem CID 164628976) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol
PubChem CID164628976
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol
SMILESCOc1cc(F)ccc1-c1cncc(NC(CO)c2ccccc2)n1
InChIInChI=1S/C19H18FN3O2/c1-25-18-9-14(20)7-8-15(18)16-10-21-11-19(22-16)23-17(12-24)13-5-3-2-4-6-13/h2-11,17,24H,12H2,1H3,(H,22,23)
InChIKeyDWPNZZXUEHGXCY-UHFFFAOYSA-N
XLogP3.44
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol?
The IUPAC name of 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol (CID 164628976) is 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol.
What is the SMILES notation for 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol?
The canonical SMILES for 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol is COc1cc(F)ccc1-c1cncc(NC(CO)c2ccccc2)n1.
What is the InChIKey of 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol?
The InChIKey is DWPNZZXUEHGXCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-25-18-9-14(20)7-8-15(18)16-10-21-11-19(22-16)23-17(12-24)13-5-3-2-4-6-13/h2-11,17,24H,12H2,1H3,(H,22,23).
What are the key properties of 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol?
2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol has a molecular weight of 339.37 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluoro-2-methoxyphenyl)pyrazin-2-yl]amino]-2-phenylethanol is sourced from PubChem (CID 164628976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).