methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate

C13H20N4O2 — CID 103055728

IUPACmethyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1cnc(CN2CCCC2C(=O)OC)cn1
InChIInChI=1S/C13H20N4O2/c1-3-14-12-8-15-10(7-16-12)9-17-6-4-5-11(17)13(18)19-2/h7-8,11H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyYCRKVJPURUOJQC-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.05
Rot. Bonds5

About methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate

methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate (PubChem CID 103055728) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
PubChem CID103055728
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Namemethyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate
SMILESCCNc1cnc(CN2CCCC2C(=O)OC)cn1
InChIInChI=1S/C13H20N4O2/c1-3-14-12-8-15-10(7-16-12)9-17-6-4-5-11(17)13(18)19-2/h7-8,11H,3-6,9H2,1-2H3,(H,14,16)
InChIKeyYCRKVJPURUOJQC-UHFFFAOYSA-N
XLogP1.05
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate (CID 103055728) is methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate is CCNc1cnc(CN2CCCC2C(=O)OC)cn1.
What is the InChIKey of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate?
The InChIKey is YCRKVJPURUOJQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-14-12-8-15-10(7-16-12)9-17-6-4-5-11(17)13(18)19-2/h7-8,11H,3-6,9H2,1-2H3,(H,14,16).
What are the key properties of methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate?
methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate has a molecular weight of 264.33 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[5-(ethylamino)pyrazin-2-yl]methyl]pyrrolidine-2-carboxylate is sourced from PubChem (CID 103055728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).