6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

C19H18FN3O3 — CID 6482656

IUPAC6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(-c3cccc(F)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18FN3O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12/h4-11H,1-3H3,(H,22,23)
InChIKeyXVKVCGWYGXXFGR-UHFFFAOYSA-N
MW355.37 g/mol
LogP4.05
Rot. Bonds6

About 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine

6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (PubChem CID 6482656) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
PubChem CID6482656
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine
SMILESCOc1cc(Nc2cncc(-c3cccc(F)c3)n2)cc(OC)c1OC
InChIInChI=1S/C19H18FN3O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12/h4-11H,1-3H3,(H,22,23)
InChIKeyXVKVCGWYGXXFGR-UHFFFAOYSA-N
XLogP4.05
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The IUPAC name of 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine (CID 6482656) is 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is COc1cc(Nc2cncc(-c3cccc(F)c3)n2)cc(OC)c1OC.
What is the InChIKey of 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
The InChIKey is XVKVCGWYGXXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-24-16-8-14(9-17(25-2)19(16)26-3)22-18-11-21-10-15(23-18)12-5-4-6-13(20)7-12/h4-11H,1-3H3,(H,22,23).
What are the key properties of 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine?
6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine has a molecular weight of 355.37 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluorophenyl)-N-(3,4,5-trimethoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 6482656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).