tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate

C15H24N4O2 — CID 174538935

IUPACtert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate
SMILESCCNc1cncc(C2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O2/c1-5-17-13-9-16-8-12(18-13)11-6-7-19(10-11)14(20)21-15(2,3)4/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyBGNWRXAEMZSYEE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.63
Rot. Bonds3

About tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate

tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate (PubChem CID 174538935) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate
PubChem CID174538935
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Nametert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate
SMILESCCNc1cncc(C2CCN(C(=O)OC(C)(C)C)C2)n1
InChIInChI=1S/C15H24N4O2/c1-5-17-13-9-16-8-12(18-13)11-6-7-19(10-11)14(20)21-15(2,3)4/h8-9,11H,5-7,10H2,1-4H3,(H,17,18)
InChIKeyBGNWRXAEMZSYEE-UHFFFAOYSA-N
XLogP2.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate (CID 174538935) is tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate is CCNc1cncc(C2CCN(C(=O)OC(C)(C)C)C2)n1.
What is the InChIKey of tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate?
The InChIKey is BGNWRXAEMZSYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-17-13-9-16-8-12(18-13)11-6-7-19(10-11)14(20)21-15(2,3)4/h8-9,11H,5-7,10H2,1-4H3,(H,17,18).
What are the key properties of tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate?
tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[6-(ethylamino)pyrazin-2-yl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 174538935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).