5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine

C15H18FN3O — CID 90310870

IUPAC5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine
SMILESCOc1c(C(C)(C)C)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C15H18FN3O/c1-15(2,3)10-6-5-9(13(16)14(10)20-4)11-7-19-12(17)8-18-11/h5-8H,1-4H3,(H2,17,19)
InChIKeyTVJNTLKCNRPOFV-UHFFFAOYSA-N
MW275.33 g/mol
LogP3.17
Rot. Bonds2

About 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine

5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine (PubChem CID 90310870) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine
PubChem CID90310870
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine
SMILESCOc1c(C(C)(C)C)ccc(-c2cnc(N)cn2)c1F
InChIInChI=1S/C15H18FN3O/c1-15(2,3)10-6-5-9(13(16)14(10)20-4)11-7-19-12(17)8-18-11/h5-8H,1-4H3,(H2,17,19)
InChIKeyTVJNTLKCNRPOFV-UHFFFAOYSA-N
XLogP3.17
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The IUPAC name of 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine (CID 90310870) is 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine.
What is the SMILES notation for 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The canonical SMILES for 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine is COc1c(C(C)(C)C)ccc(-c2cnc(N)cn2)c1F.
What is the InChIKey of 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
The InChIKey is TVJNTLKCNRPOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-15(2,3)10-6-5-9(13(16)14(10)20-4)11-7-19-12(17)8-18-11/h5-8H,1-4H3,(H2,17,19).
What are the key properties of 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine?
5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine has a molecular weight of 275.33 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butyl-2-fluoro-3-methoxyphenyl)pyrazin-2-amine is sourced from PubChem (CID 90310870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).