tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C15H27N3O3 — CID 103397926

IUPACtert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C1CCCO1
InChIInChI=1S/C15H27N3O3/c1-11(12-6-5-9-20-12)17-13-10-18(8-7-16-13)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyVZXCCGLJDFBFCN-UHFFFAOYSA-N
MW297.40 g/mol
LogP1.79
Rot. Bonds2

About tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397926) has the molecular formula C15H27N3O3 and a molecular weight of 297.40 g/mol. Its IUPAC name is tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397926
Molecular FormulaC15H27N3O3
Molecular Weight297.40 g/mol
Exact Mass297.21
IUPAC Nametert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C1CCCO1
InChIInChI=1S/C15H27N3O3/c1-11(12-6-5-9-20-12)17-13-10-18(8-7-16-13)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17)
InChIKeyVZXCCGLJDFBFCN-UHFFFAOYSA-N
XLogP1.79
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397926) is tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(NC1=NCCN(C(=O)OC(C)(C)C)C1)C1CCCO1.
What is the InChIKey of tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is VZXCCGLJDFBFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O3/c1-11(12-6-5-9-20-12)17-13-10-18(8-7-16-13)14(19)21-15(2,3)4/h11-12H,5-10H2,1-4H3,(H,16,17).
What are the key properties of tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 297.40 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[1-(oxolan-2-yl)ethylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).