5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride

C20H21ClFN3S — CID 90312683

IUPAC5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride
SMILESCC(C)SCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.Cl
InChIInChI=1S/C20H20FN3S.ClH/c1-13(2)25-12-15-5-3-4-6-16(15)14-7-8-17(18(21)9-14)19-10-24-20(22)11-23-19;/h3-11,13H,12H2,1-2H3,(H2,22,24);1H
InChIKeyGYZLCJVCYAKIFF-UHFFFAOYSA-N
MW389.93 g/mol
LogP5.60
Rot. Bonds5

About 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride

5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride (PubChem CID 90312683) has the molecular formula C20H21ClFN3S and a molecular weight of 389.93 g/mol. Its IUPAC name is 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride
PubChem CID90312683
Molecular FormulaC20H21ClFN3S
Molecular Weight389.93 g/mol
Exact Mass389.11
IUPAC Name5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride
SMILESCC(C)SCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.Cl
InChIInChI=1S/C20H20FN3S.ClH/c1-13(2)25-12-15-5-3-4-6-16(15)14-7-8-17(18(21)9-14)19-10-24-20(22)11-23-19;/h3-11,13H,12H2,1-2H3,(H2,22,24);1H
InChIKeyGYZLCJVCYAKIFF-UHFFFAOYSA-N
XLogP5.60
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.93
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

S-[[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]methyl] ethanethioate
CID 131733122
1-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]-N-ethylmethanesulfonamide
CID 90313025
5-[2-fluoro-4-[2-(pyrimidin-2-ylsulfinylmethyl)phenyl]phenyl]pyrazin-2-amine
CID 137396074
6-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]sulfanylpyrimidin-4-amine
CID 90313818
5-[4-(2-amino-5-methylphenyl)-2-fluorophenyl]pyrazin-2-amine
CID 144679153
5-[4-[2-(6-aminopyrazin-2-yl)sulfanylphenyl]-2-fluorophenyl]pyrazin-2-amine
CID 90314307
N-[2-[4-(5-aminopyrazin-2-yl)-3-fluorophenyl]phenyl]hexane-1-sulfinamide
CID 137395916
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-(1,3-dihydroxy-2-methylpropan-2-yl)benzenesulfinamide
CID 137395950
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride?
The IUPAC name of 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride (CID 90312683) is 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride.
What is the SMILES notation for 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride?
The canonical SMILES for 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride is CC(C)SCc1ccccc1-c1ccc(-c2cnc(N)cn2)c(F)c1.Cl.
What is the InChIKey of 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride?
The InChIKey is GYZLCJVCYAKIFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3S.ClH/c1-13(2)25-12-15-5-3-4-6-16(15)14-7-8-17(18(21)9-14)19-10-24-20(22)11-23-19;/h3-11,13H,12H2,1-2H3,(H2,22,24);1H.
What are the key properties of 5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride?
5-[2-fluoro-4-[2-(propan-2-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride has a molecular weight of 389.93 g/mol, XLogP of 5.60, 5 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-ylsulfanylmethyl)phenyl]phenyl]pyrazin-2-amine;hydrochloride is sourced from PubChem (CID 90312683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).