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

C14H26N4O3 — CID 103397938

IUPACtert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N4O3/c1-5-6-16-12(19)9-17-11-10-18(8-7-15-11)13(20)21-14(2,3)4/h5-10H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyAGZQLRJZTRYPSI-UHFFFAOYSA-N
MW298.39 g/mol
LogP0.75
Rot. Bonds4

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

tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397938) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397938
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Nametert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCCNC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N4O3/c1-5-6-16-12(19)9-17-11-10-18(8-7-15-11)13(20)21-14(2,3)4/h5-10H2,1-4H3,(H,15,17)(H,16,19)
InChIKeyAGZQLRJZTRYPSI-UHFFFAOYSA-N
XLogP0.75
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
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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Related Compounds

tert-butyl N-(2-(4,5-dihydro-1H-imidazol-2-yl)ethyl)-N-methylcarbamate
CID 132343787
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate hydrochloride
CID 165910008
tert-butyl 6-(3,3,3-trifluoropropylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398141
tert-butyl 6-(2-fluoroethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 130504171
Tert-butyl 5-(methylamino)-1,2,3,6-tetrahydropyrazine-1-carboxylate
CID 136762902
2,2-Dimethyl-10-imino-3-oxa-5,8,11,14-tetraazatetradecane-4,7,13-trione
CID 533649
Acetamide, N-(2-amino-2-iminoethyl)-alpha-(t-butoxycarbonylamino)-
CID 567732
tert-butyl 6-amino-1-(N'-methylcarbamimidoyl)-3,5-dihydro-2H-pyrazin-1-ium-4-carboxylate
CID 142547128
tert-butyl N-ethyl-N-[2-methylimino-2-(propan-2-ylamino)ethyl]carbamate
CID 146385560
tert-butyl N-[2-(ethanimidoylamino)-2-oxoethyl]carbamate
CID 166686997
tert-butyl 2,3-dimethyl-5-oxo-4H-imidazol-3-ium-3-carboxylate
CID 174821083
tert-butyl 1,2-dimethyl-5-oxo-4H-imidazol-3-ium-3-carboxylate
CID 174821084

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397938) is tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCCNC(=O)CNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is AGZQLRJZTRYPSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-5-6-16-12(19)9-17-11-10-18(8-7-15-11)13(20)21-14(2,3)4/h5-10H2,1-4H3,(H,15,17)(H,16,19).
What are the key properties of tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[[2-oxo-2-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 298.39 g/mol, XLogP of 0.75, 4 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-(propylamino)ethyl]amino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).