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

C11H21N3O2 — CID 130557651

IUPACtert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)C1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-7-6-12-9(8-14)13(4)5/h6-8H2,1-5H3
InChIKeyGVLNLCDMYMFURC-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.20
Rot. Bonds

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

tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 130557651) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID130557651
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Nametert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCN(C)C1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-7-6-12-9(8-14)13(4)5/h6-8H2,1-5H3
InChIKeyGVLNLCDMYMFURC-UHFFFAOYSA-N
XLogP1.20
TPSA45.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 130557651) is tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is CN(C)C1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is GVLNLCDMYMFURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-11(2,3)16-10(15)14-7-6-12-9(8-14)13(4)5/h6-8H2,1-5H3.
What are the key properties of tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 227.31 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-(dimethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 130557651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).