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

C17H32N4O2 — CID 103397999

IUPACtert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)N1CCC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N4O2/c1-13(2)20-8-6-14(11-20)10-19-15-12-21(9-7-18-15)16(22)23-17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,19)
InChIKeyYNHAFFQSHYYOOO-UHFFFAOYSA-N
MW324.47 g/mol
LogP1.96
Rot. Bonds3

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

tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (PubChem CID 103397999) has the molecular formula C17H32N4O2 and a molecular weight of 324.47 g/mol. Its IUPAC name is tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
PubChem CID103397999
Molecular FormulaC17H32N4O2
Molecular Weight324.47 g/mol
Exact Mass324.25
IUPAC Nametert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate
SMILESCC(C)N1CCC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1
InChIInChI=1S/C17H32N4O2/c1-13(2)20-8-6-14(11-20)10-19-15-12-21(9-7-18-15)16(22)23-17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,19)
InChIKeyYNHAFFQSHYYOOO-UHFFFAOYSA-N
XLogP1.96
TPSA57.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 51.96
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-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The IUPAC name of tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate (CID 103397999) is tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate.
What is the SMILES notation for tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The canonical SMILES for tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is CC(C)N1CCC(CNC2=NCCN(C(=O)OC(C)(C)C)C2)C1.
What is the InChIKey of tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
The InChIKey is YNHAFFQSHYYOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O2/c1-13(2)20-8-6-14(11-20)10-19-15-12-21(9-7-18-15)16(22)23-17(3,4)5/h13-14H,6-12H2,1-5H3,(H,18,19).
What are the key properties of tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate?
tert-butyl 6-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate has a molecular weight of 324.47 g/mol, XLogP of 1.96, 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-propan-2-ylpyrrolidin-3-yl)methylamino]-3,5-dihydro-2H-pyrazine-4-carboxylate is sourced from PubChem (CID 103397999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).