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

C15H27N3O3 — CID 103398158

IUPACtert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2CCOCC2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(19)18-7-6-16-13(11-18)17-10-12-4-8-20-9-5-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyDFCSTFKAZYILPB-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.65
Rot. Bonds2

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

tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398158) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398158
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2CCOCC2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(19)18-7-6-16-13(11-18)17-10-12-4-8-20-9-5-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyDFCSTFKAZYILPB-UHFFFAOYSA-N
XLogP1.65
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398158) is tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC2CCOCC2)C1.
What is the InChIKey of tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is DFCSTFKAZYILPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(19)18-7-6-16-13(11-18)17-10-12-4-8-20-9-5-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).