tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C16H30N4O3 — CID 103398418

IUPACtert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN1CCOC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N4O3/c1-5-19-8-9-22-13(11-19)10-18-14-12-20(7-6-17-14)15(21)23-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyRDFLFMQVQMPUEE-UHFFFAOYSA-N
MW326.44 g/mol
LogP0.95
Rot. Bonds3

About tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103398418) has the molecular formula C16H30N4O3 and a molecular weight of 326.44 g/mol. Its IUPAC name is tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103398418
Molecular FormulaC16H30N4O3
Molecular Weight326.44 g/mol
Exact Mass326.23
IUPAC Nametert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN1CCOC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C16H30N4O3/c1-5-19-8-9-22-13(11-19)10-18-14-12-20(7-6-17-14)15(21)23-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyRDFLFMQVQMPUEE-UHFFFAOYSA-N
XLogP0.95
TPSA66.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 5-(2-methoxyethylamino)-1,4,9-triazaspiro[5.5]undec-4-ene-9-carboxylate
CID 45379585
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-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-(4-methylpiperazin-1-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397965
tert-butyl 6-(1,4-dioxan-2-ylmethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103397982
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-(3-methylbutoxy)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398089

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103398418) is tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCN1CCOC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is RDFLFMQVQMPUEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O3/c1-5-19-8-9-22-13(11-19)10-18-14-12-20(7-6-17-14)15(21)23-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 326.44 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(4-ethylmorpholin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103398418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).