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

C13H25N3O4 — CID 103398115

IUPACtert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCOCCO)C1
InChIInChI=1S/C13H25N3O4/c1-13(2,3)20-12(18)16-6-4-14-11(10-16)15-5-8-19-9-7-17/h17H,4-10H2,1-3H3,(H,14,15)
InChIKeyUDYBRAZKYLWERD-UHFFFAOYSA-N
MW287.36 g/mol
LogP0.23
Rot. Bonds5

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

tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398115) has the molecular formula C13H25N3O4 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398115
Molecular FormulaC13H25N3O4
Molecular Weight287.36 g/mol
Exact Mass287.18
IUPAC Nametert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCCOCCO)C1
InChIInChI=1S/C13H25N3O4/c1-13(2,3)20-12(18)16-6-4-14-11(10-16)15-5-8-19-9-7-17/h17H,4-10H2,1-3H3,(H,14,15)
InChIKeyUDYBRAZKYLWERD-UHFFFAOYSA-N
XLogP0.23
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398115) is tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCCOCCO)C1.
What is the InChIKey of tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is UDYBRAZKYLWERD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O4/c1-13(2,3)20-12(18)16-6-4-14-11(10-16)15-5-8-19-9-7-17/h17H,4-10H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 287.36 g/mol, XLogP of 0.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).