5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine

C21H16FN5OS — CID 137396074

IUPAC5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3CS(=O)c3ncccn3)cc2F)cn1
InChIInChI=1S/C21H16FN5OS/c22-18-10-14(6-7-17(18)19-11-27-20(23)12-26-19)16-5-2-1-4-15(16)13-29(28)21-24-8-3-9-25-21/h1-12H,13H2,(H2,23,27)
InChIKeyRWOILYIVKMOWDC-UHFFFAOYSA-N
MW405.46 g/mol
LogP3.63
Rot. Bonds5

About 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine

5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine (PubChem CID 137396074) has the molecular formula C21H16FN5OS and a molecular weight of 405.46 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
PubChem CID137396074
Molecular FormulaC21H16FN5OS
Molecular Weight405.46 g/mol
Exact Mass405.11
IUPAC Name5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3CS(=O)c3ncccn3)cc2F)cn1
InChIInChI=1S/C21H16FN5OS/c22-18-10-14(6-7-17(18)19-11-27-20(23)12-26-19)16-5-2-1-4-15(16)13-29(28)21-24-8-3-9-25-21/h1-12H,13H2,(H2,23,27)
InChIKeyRWOILYIVKMOWDC-UHFFFAOYSA-N
XLogP3.63
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine?
The IUPAC name of 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine (CID 137396074) is 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine?
The canonical SMILES for 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3CS(=O)c3ncccn3)cc2F)cn1.
What is the InChIKey of 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine?
The InChIKey is RWOILYIVKMOWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5OS/c22-18-10-14(6-7-17(18)19-11-27-20(23)12-26-19)16-5-2-1-4-15(16)13-29(28)21-24-8-3-9-25-21/h1-12H,13H2,(H2,23,27).
What are the key properties of 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine?
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine has a molecular weight of 405.46 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine is sourced from PubChem (CID 137396074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).