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

C15H27N3O3 — CID 103398066

IUPACtert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2CCCCO2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(19)18-8-7-16-13(11-18)17-10-12-6-4-5-9-20-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyDJXUUORUICUIJJ-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.79
Rot. Bonds2

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

tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398066) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398066
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2CCCCO2)C1
InChIInChI=1S/C15H27N3O3/c1-15(2,3)21-14(19)18-8-7-16-13(11-18)17-10-12-6-4-5-9-20-12/h12H,4-11H2,1-3H3,(H,16,17)
InChIKeyDJXUUORUICUIJJ-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 6-(oxolan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397894
tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397926
tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397942
tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397982
tert-butyl 6-[2-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397991
tert-butyl 6-(2-butoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397997
tert-butyl 6-[(2-hydroxycyclohexyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398110
tert-butyl 6-(oxan-3-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398155
tert-butyl 6-(oxan-4-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398158
tert-butyl 6-(2-cyclopentyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398163
tert-butyl 6-(2-cyclohexyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398164
tert-butyl 6-(1-methoxypentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398189

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398066) is tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC2CCCCO2)C1.
What is the InChIKey of tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is DJXUUORUICUIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-15(2,3)21-14(19)18-8-7-16-13(11-18)17-10-12-6-4-5-9-20-12/h12H,4-11H2,1-3H3,(H,16,17).
What are the key properties of tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.79, 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-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).