5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine

C20H20FN3 — CID 118598397

IUPAC5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine
SMILESCC(C)CNc1cnc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C20H20FN3/c1-14(2)11-23-19-13-22-18(12-24-19)17-10-6-9-16(20(17)21)15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,24)
InChIKeyWFOATYPBHZNYBR-UHFFFAOYSA-N
MW321.40 g/mol
LogP5.02
Rot. Bonds5

About 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine

5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine (PubChem CID 118598397) has the molecular formula C20H20FN3 and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine.

Molecular Properties

Compound Name5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine
PubChem CID118598397
Molecular FormulaC20H20FN3
Molecular Weight321.40 g/mol
Exact Mass321.16
IUPAC Name5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine
SMILESCC(C)CNc1cnc(-c2cccc(-c3ccccc3)c2F)cn1
InChIInChI=1S/C20H20FN3/c1-14(2)11-23-19-13-22-18(12-24-19)17-10-6-9-16(20(17)21)15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,24)
InChIKeyWFOATYPBHZNYBR-UHFFFAOYSA-N
XLogP5.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.40
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-5-(2-fluoro-3-phenylphenyl)pyrazin-2-amine
CID 118598526
3-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]propanenitrile
CID 118598457
cis-(1S,2R)-2-[[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]amino]cyclohexan-1-ol
CID 90314776
N-[5-(2-fluoro-3-phenylphenyl)pyrazin-2-yl]-2,6-dimethoxypyrimidin-4-amine
CID 90314272
N-ethyl-5-(2-fluoro-3-methoxyphenyl)pyrazin-2-amine
CID 112754900
1-tert-butyl-5-(2-fluoro-3-phenylphenyl)imidazo[4,5-b]pyrazine
CID 118598389
3-[6-(2-methylpropylamino)-3-pyridinyl]benzaldehyde
CID 126469226
2-(2-fluoro-3-phenylphenyl)-5-methylpyrrolo[2,3-b]pyrazine
CID 118598428
2-methyl-N-[2-(2-phenylphenoxy)ethyl]propan-1-amine
CID 62449849
2-(tert-butylamino)-5-(2-fluoro-3-phenylphenyl)pyridine-4-carbonitrile
CID 118598452
5-N,5-N-dimethyl-2-N-(2-methylpropyl)pyridine-2,5-diamine
CID 115876832
N-[4-[[(5-phenylpyrazin-2-yl)amino]methyl]cyclohexyl]propane-2-sulfonamide
CID 59549754

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine?
The IUPAC name of 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine (CID 118598397) is 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine.
What is the SMILES notation for 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine?
The canonical SMILES for 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine is CC(C)CNc1cnc(-c2cccc(-c3ccccc3)c2F)cn1.
What is the InChIKey of 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine?
The InChIKey is WFOATYPBHZNYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3/c1-14(2)11-23-19-13-22-18(12-24-19)17-10-6-9-16(20(17)21)15-7-4-3-5-8-15/h3-10,12-14H,11H2,1-2H3,(H,23,24).
What are the key properties of 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine?
5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine has a molecular weight of 321.40 g/mol, XLogP of 5.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-3-phenylphenyl)-N-(2-methylpropyl)pyrazin-2-amine is sourced from PubChem (CID 118598397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).