5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine

C20H15FN6S — CID 90314307

IUPAC5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3cncc(N)n3)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)16-8-26-18(22)10-25-16)13-3-1-2-4-17(13)28-20-11-24-9-19(23)27-20/h1-11H,(H2,22,26)(H2,23,27)
InChIKeyQZZUSEWAVZWIDW-UHFFFAOYSA-N
MW390.45 g/mol
LogP4.06
Rot. Bonds4

About 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine

5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine (PubChem CID 90314307) has the molecular formula C20H15FN6S and a molecular weight of 390.45 g/mol. Its IUPAC name is 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine.

Molecular Properties

Compound Name5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine
PubChem CID90314307
Molecular FormulaC20H15FN6S
Molecular Weight390.45 g/mol
Exact Mass390.11
IUPAC Name5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine
SMILESNc1cnc(-c2ccc(-c3ccccc3Sc3cncc(N)n3)cc2F)cn1
InChIInChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)16-8-26-18(22)10-25-16)13-3-1-2-4-17(13)28-20-11-24-9-19(23)27-20/h1-11H,(H2,22,26)(H2,23,27)
InChIKeyQZZUSEWAVZWIDW-UHFFFAOYSA-N
XLogP4.06
TPSA103.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
CID 90313818
5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride
CID 90312683
5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine
CID 144679153
5-[2-fluoro-4-(2-pyrimidin-4-yloxyphenyl)phenyl]pyrazin-2-amine
CID 118598335
S-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]methyl] ethanethioate
CID 131733122
N-(2-aminoethyl)-2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]benzenesulfinamide
CID 138711929
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]benzenesulfonamide
CID 90313395
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-(2-hydroxyethyl)benzenesulfinamide
CID 137395613
5-[2-fluoro-4-(2-pyrrolidin-1-ylsulfinylphenyl)phenyl]pyrazin-2-amine
CID 137395622
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
CID 137396074
2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]-N-pyridin-3-ylbenzenesulfinamide
CID 138711674
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine?
The IUPAC name of 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine (CID 90314307) is 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine.
What is the SMILES notation for 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine?
The canonical SMILES for 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine is Nc1cnc(-c2ccc(-c3ccccc3Sc3cncc(N)n3)cc2F)cn1.
What is the InChIKey of 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine?
The InChIKey is QZZUSEWAVZWIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6S/c21-15-7-12(5-6-14(15)16-8-26-18(22)10-25-16)13-3-1-2-4-17(13)28-20-11-24-9-19(23)27-20/h1-11H,(H2,22,26)(H2,23,27).
What are the key properties of 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine?
5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine has a molecular weight of 390.45 g/mol, XLogP of 4.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine is sourced from PubChem (CID 90314307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).