5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine

C19H18FN3O — CID 90314510

IUPAC5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine
SMILESCC(C)Oc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C19H18FN3O/c1-12(2)24-18-6-4-3-5-14(18)13-7-8-15(16(20)9-13)17-10-23-19(21)11-22-17/h3-12H,1-2H3,(H2,21,23)
InChIKeyWSBPRMYAKRKMBT-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.32
Rot. Bonds4

About 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine

5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine (PubChem CID 90314510) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine
PubChem CID90314510
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC Name5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine
SMILESCC(C)Oc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1
InChIInChI=1S/C19H18FN3O/c1-12(2)24-18-6-4-3-5-14(18)13-7-8-15(16(20)9-13)17-10-23-19(21)11-22-17/h3-12H,1-2H3,(H2,21,23)
InChIKeyWSBPRMYAKRKMBT-UHFFFAOYSA-N
XLogP4.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine (CID 90314510) is 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine is CC(C)Oc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.
What is the InChIKey of 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine?
The InChIKey is WSBPRMYAKRKMBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c1-12(2)24-18-6-4-3-5-14(18)13-7-8-15(16(20)9-13)17-10-23-19(21)11-22-17/h3-12H,1-2H3,(H2,21,23).
What are the key properties of 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine?
5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine has a molecular weight of 323.37 g/mol, XLogP of 4.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-(2-propan-2-yloxyphenyl)phenyl]pyrazin-2-amine is sourced from PubChem (CID 90314510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).