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

C14H25N3O3 — CID 103397942

IUPACtert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCOCC2)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)17-7-6-15-12(10-17)16-11-4-8-19-9-5-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyILJAXQSCZJLKNQ-UHFFFAOYSA-N
MW283.37 g/mol
LogP1.40
Rot. Bonds1

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

tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397942) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397942
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Nametert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NC2CCOCC2)C1
InChIInChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)17-7-6-15-12(10-17)16-11-4-8-19-9-5-11/h11H,4-10H2,1-3H3,(H,15,16)
InChIKeyILJAXQSCZJLKNQ-UHFFFAOYSA-N
XLogP1.40
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 6-(butan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397849
tert-butyl 6-(pentan-3-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397853
tert-butyl 6-(pentan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397863
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-(oxan-3-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397979
tert-butyl 6-[2-(dimethylamino)propylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397984
tert-butyl 6-[(1-methylpiperidin-3-yl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398002
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-(4-methoxybutylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398076
tert-butyl 6-(1-ethoxypropan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398079

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397942) is tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NC2CCOCC2)C1.
What is the InChIKey of tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is ILJAXQSCZJLKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-14(2,3)20-13(18)17-7-6-15-12(10-17)16-11-4-8-19-9-5-11/h11H,4-10H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(oxan-4-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 283.37 g/mol, XLogP of 1.40, 1 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-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).