tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

C14H26N4O3 — CID 103397939

IUPACtert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)NC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N4O3/c1-10(2)17-12(19)8-16-11-9-18(7-6-15-11)13(20)21-14(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)(H,17,19)
InChIKeyGVGWDLMSZUUWLA-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.75
Rot. Bonds3

About tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate

tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397939) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397939
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)NC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N4O3/c1-10(2)17-12(19)8-16-11-9-18(7-6-15-11)13(20)21-14(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)(H,17,19)
InChIKeyGVGWDLMSZUUWLA-UHFFFAOYSA-N
XLogP0.75
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 50.75
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-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397939) is tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)NC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is GVGWDLMSZUUWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-10(2)17-12(19)8-16-11-9-18(7-6-15-11)13(20)21-14(3,4)5/h10H,6-9H2,1-5H3,(H,15,16)(H,17,19).
What are the key properties of tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 0.75, 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-oxo-2-(propan-2-ylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).