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

C16H30N4O2 — CID 103397891

IUPACtert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN1CCCC1CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O2/c1-5-19-9-6-7-13(19)11-18-14-12-20(10-8-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyRPMFCXGMGMDSGR-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.71
Rot. Bonds3

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

tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397891) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397891
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Nametert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCCN1CCCC1CNC1=NCCN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N4O2/c1-5-19-9-6-7-13(19)11-18-14-12-20(10-8-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18)
InChIKeyRPMFCXGMGMDSGR-UHFFFAOYSA-N
XLogP1.71
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl (2S)-2-(N-ethyl-N,N'-dimethylcarbamimidoyl)pyrrolidine-1-carboxylate
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tert-butyl (2S)-2-[N-[1-[[N-ethyl-C-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]carbonimidoyl]-methylamino]ethyl]-N'-methylcarbamimidoyl]pyrrolidine-1-carboxylate
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tert-butyl 2-(N'-ethylcarbamimidoyl)pyrrolidine-1-carboxylate
CID 129239441
tert-butyl (2S)-2-(N'-methylcarbamimidoyl)pyrrolidine-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397891) is tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CCN1CCCC1CNC1=NCCN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is RPMFCXGMGMDSGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O2/c1-5-19-9-6-7-13(19)11-18-14-12-20(10-8-17-14)15(21)22-16(2,3)4/h13H,5-12H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 310.44 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-[(1-ethylpyrrolidin-2-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).