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

C12H23N3O3 — CID 103397848

IUPACtert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(16)15-7-5-13-10(9-15)14-6-8-17-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyLOZMMUXTRHRKLK-UHFFFAOYSA-N
MW257.33 g/mol
LogP0.87
Rot. Bonds3

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

tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397848) has the molecular formula C12H23N3O3 and a molecular weight of 257.33 g/mol. Its IUPAC name is tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397848
Molecular FormulaC12H23N3O3
Molecular Weight257.33 g/mol
Exact Mass257.17
IUPAC Nametert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCOCCNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C12H23N3O3/c1-12(2,3)18-11(16)15-7-5-13-10(9-15)14-6-8-17-4/h5-9H2,1-4H3,(H,13,14)
InChIKeyLOZMMUXTRHRKLK-UHFFFAOYSA-N
XLogP0.87
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(2,2,2-trifluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397878
tert-butyl 6-[2-(2,2,2-trifluoroethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398165
tert-butyl 6-(2,2-difluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398288
tert-butyl 6-[(3,3,3-trifluoro-2-hydroxypropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105647102
tert-butyl 6-[(3,3-difluoro-2-hydroxypropyl)amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105647703
tert-butyl 6-[2-(2,2-difluoroethoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 105912977
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
tert-butyl N-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
tert-butyl 6-(propylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397845
tert-butyl 6-(propan-2-ylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397846

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397848) is tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is COCCNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is LOZMMUXTRHRKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O3/c1-12(2,3)18-11(16)15-7-5-13-10(9-15)14-6-8-17-4/h5-9H2,1-4H3,(H,13,14).
What are the key properties of tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 257.33 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(2-methoxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).