tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H24N4O3 — CID 103397940

IUPACtert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(=O)NC2CC2)C1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-7-6-15-11(9-18)16-8-12(19)17-10-4-5-10/h10H,4-9H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyOXZYWITVVGUBNV-UHFFFAOYSA-N
MW296.37 g/mol
LogP0.50
Rot. Bonds3

About tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397940) has the molecular formula C14H24N4O3 and a molecular weight of 296.37 g/mol. Its IUPAC name is tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397940
Molecular FormulaC14H24N4O3
Molecular Weight296.37 g/mol
Exact Mass296.18
IUPAC Nametert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN=C(NCC(=O)NC2CC2)C1
InChIInChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-7-6-15-11(9-18)16-8-12(19)17-10-4-5-10/h10H,4-9H2,1-3H3,(H,15,16)(H,17,19)
InChIKeyOXZYWITVVGUBNV-UHFFFAOYSA-N
XLogP0.50
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397940) is tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)(C)OC(=O)N1CCN=C(NCC(=O)NC2CC2)C1.
What is the InChIKey of tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is OXZYWITVVGUBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O3/c1-14(2,3)21-13(20)18-7-6-15-11(9-18)16-8-12(19)17-10-4-5-10/h10H,4-9H2,1-3H3,(H,15,16)(H,17,19).
What are the key properties of tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 296.37 g/mol, XLogP of 0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[[2-(cyclopropylamino)-2-oxoethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).