tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C17H25N3O3 — CID 103398068

IUPACtert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCOc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(21)20-11-9-18-15(13-20)19-10-12-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,19)
InChIKeyIBFKRHYZECDUKQ-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.30
Rot. Bonds4

About tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398068) has the molecular formula C17H25N3O3 and a molecular weight of 319.40 g/mol. Its IUPAC name is tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398068
Molecular FormulaC17H25N3O3
Molecular Weight319.40 g/mol
Exact Mass319.19
IUPAC Nametert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCOc2ccccc2)C1
InChIInChI=1S/C17H25N3O3/c1-17(2,3)23-16(21)20-11-9-18-15(13-20)19-10-12-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,19)
InChIKeyIBFKRHYZECDUKQ-UHFFFAOYSA-N
XLogP2.30
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 6-(2-cyclopentyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398163
tert-butyl 6-[(2-hydroxy-1-phenylethyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398140
tert-butyl 6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398336
tert-butyl 6-[(4-methoxyphenyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397872
tert-butyl 6-(2-thiophen-3-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398032
tert-butyl 6-[(3-methyl-2-pyridinyl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398152
tert-butyl 6-[2-(trifluoromethylsulfanyl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 106430845
tert-butyl 6-[(3-ethoxy-3-oxopropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398095
tert-butyl 6-(5-methylhexylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398284
tert-butyl 6-(but-2-ynylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398347
tert-butyl 6-[[3-(hydroxymethyl)phenyl]methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 107232111
tert-butyl 6-[(5-methylpyrazin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398128

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398068) is tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCCOc2ccccc2)C1.
What is the InChIKey of tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is IBFKRHYZECDUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3/c1-17(2,3)23-16(21)20-11-9-18-15(13-20)19-10-12-22-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,18,19).
What are the key properties of tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 319.40 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-phenoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).