3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine

C19H19FN4O3 — CID 66912561

IUPAC3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
SMILESCOc1cc(Nc2cnc(-c3cccc(F)c3)c(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H19FN4O3/c1-25-14-8-13(9-15(26-2)18(14)27-3)23-16-10-22-17(19(21)24-16)11-5-4-6-12(20)7-11/h4-10H,1-3H3,(H3,21,23,24)
InChIKeyVLJZJUQWCJWTML-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.63
Rot. Bonds6

About 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine

3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine (PubChem CID 66912561) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
PubChem CID66912561
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine
SMILESCOc1cc(Nc2cnc(-c3cccc(F)c3)c(N)n2)cc(OC)c1OC
InChIInChI=1S/C19H19FN4O3/c1-25-14-8-13(9-15(26-2)18(14)27-3)23-16-10-22-17(19(21)24-16)11-5-4-6-12(20)7-11/h4-10H,1-3H3,(H3,21,23,24)
InChIKeyVLJZJUQWCJWTML-UHFFFAOYSA-N
XLogP3.63
TPSA91.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
The IUPAC name of 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine (CID 66912561) is 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine.
What is the SMILES notation for 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
The canonical SMILES for 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine is COc1cc(Nc2cnc(-c3cccc(F)c3)c(N)n2)cc(OC)c1OC.
What is the InChIKey of 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
The InChIKey is VLJZJUQWCJWTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-25-14-8-13(9-15(26-2)18(14)27-3)23-16-10-22-17(19(21)24-16)11-5-4-6-12(20)7-11/h4-10H,1-3H3,(H3,21,23,24).
What are the key properties of 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine?
3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine has a molecular weight of 370.38 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-6-N-(3,4,5-trimethoxyphenyl)pyrazine-2,6-diamine is sourced from PubChem (CID 66912561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).