ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate

C12H16N2O2 — CID 67396598

IUPACethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)c(C)nc1C
InChIInChI=1S/C12H16N2O2/c1-4-16-12(15)11-8(3)13-7(2)10(14-11)9-5-6-9/h9H,4-6H2,1-3H3
InChIKeyCPUPNXUFSTYDNZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.15
Rot. Bonds3

About ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate

ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate (PubChem CID 67396598) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate
PubChem CID67396598
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Nameethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate
SMILESCCOC(=O)c1nc(C2CC2)c(C)nc1C
InChIInChI=1S/C12H16N2O2/c1-4-16-12(15)11-8(3)13-7(2)10(14-11)9-5-6-9/h9H,4-6H2,1-3H3
InChIKeyCPUPNXUFSTYDNZ-UHFFFAOYSA-N
XLogP2.15
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate?
The IUPAC name of ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate (CID 67396598) is ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate.
What is the SMILES notation for ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate?
The canonical SMILES for ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate is CCOC(=O)c1nc(C2CC2)c(C)nc1C.
What is the InChIKey of ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate?
The InChIKey is CPUPNXUFSTYDNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-4-16-12(15)11-8(3)13-7(2)10(14-11)9-5-6-9/h9H,4-6H2,1-3H3.
What are the key properties of ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate?
ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate has a molecular weight of 220.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-cyclopropyl-3,5-dimethylpyrazine-2-carboxylate is sourced from PubChem (CID 67396598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).