tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H24FN3O2 — CID 103398044

IUPACtert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2/c1-12(13-5-7-14(18)8-6-13)20-15-11-21(10-9-19-15)16(22)23-17(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,20)
InChIKeyKEXLODKRGUGBOT-UHFFFAOYSA-N
MW321.40 g/mol
LogP3.13
Rot. Bonds2

About tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398044) has the molecular formula C17H24FN3O2 and a molecular weight of 321.40 g/mol. Its IUPAC name is tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398044
Molecular FormulaC17H24FN3O2
Molecular Weight321.40 g/mol
Exact Mass321.19
IUPAC Nametert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1
InChIInChI=1S/C17H24FN3O2/c1-12(13-5-7-14(18)8-6-13)20-15-11-21(10-9-19-15)16(22)23-17(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,20)
InChIKeyKEXLODKRGUGBOT-UHFFFAOYSA-N
XLogP3.13
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398044) is tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(NC1=NCCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cc1.
What is the InChIKey of tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is KEXLODKRGUGBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN3O2/c1-12(13-5-7-14(18)8-6-13)20-15-11-21(10-9-19-15)16(22)23-17(2,3)4/h5-8,12H,9-11H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 321.40 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-(4-fluorophenyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).