tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H25N3O4 — CID 103397982

IUPACtert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2COCCO2)C1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(18)17-5-4-15-12(9-17)16-8-11-10-19-6-7-20-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyKRMIORMMSPIZAU-UHFFFAOYSA-N
MW299.37 g/mol
LogP0.64
Rot. Bonds2

About tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397982) has the molecular formula C14H25N3O4 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397982
Molecular FormulaC14H25N3O4
Molecular Weight299.37 g/mol
Exact Mass299.18
IUPAC Nametert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC2COCCO2)C1
InChIInChI=1S/C14H25N3O4/c1-14(2,3)21-13(18)17-5-4-15-12(9-17)16-8-11-10-19-6-7-20-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyKRMIORMMSPIZAU-UHFFFAOYSA-N
XLogP0.64
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397848
tert-butyl 6-(2-morpholin-4-ylethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397888
tert-butyl 6-(3-ethoxypropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397893
tert-butyl 6-(3-methoxypropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397905
tert-butyl 6-(3-morpholin-4-ylpropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397907
tert-butyl 6-(2-ethoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397941
tert-butyl 6-(2-butoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397997
tert-butyl 6-(1-morpholin-4-ylpropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398043
tert-butyl 6-(oxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398066
tert-butyl 6-(1-ethoxypropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398079
tert-butyl 6-[2-(2-methoxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398081
tert-butyl 6-[2-(2-hydroxyethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398115

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397982) is tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC2COCCO2)C1.
What is the InChIKey of tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is KRMIORMMSPIZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4/c1-14(2,3)21-13(18)17-5-4-15-12(9-17)16-8-11-10-19-6-7-20-11/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 299.37 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).