3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

C16H20FN3O — CID 62939485

IUPAC3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2ccccc2F)c1=O
InChIInChI=1S/C16H20FN3O/c1-12(2)11-20-10-9-19-15(16(20)21)18-8-7-13-5-3-4-6-14(13)17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,18,19)
InChIKeyVZEDYXCEVCZNSP-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.69
Rot. Bonds6

About 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62939485) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62939485
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2ccccc2F)c1=O
InChIInChI=1S/C16H20FN3O/c1-12(2)11-20-10-9-19-15(16(20)21)18-8-7-13-5-3-4-6-14(13)17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,18,19)
InChIKeyVZEDYXCEVCZNSP-UHFFFAOYSA-N
XLogP2.69
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938286
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 107816214
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[(4-amino-2-methylbutyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 66089767
N-tert-butyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 115883760

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62939485) is 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCCc2ccccc2F)c1=O.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is VZEDYXCEVCZNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-12(2)11-20-10-9-19-15(16(20)21)18-8-7-13-5-3-4-6-14(13)17/h3-6,9-10,12H,7-8,11H2,1-2H3,(H,18,19).
What are the key properties of 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 289.35 g/mol, XLogP of 2.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62939485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).