ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

C13H19N3O3 — CID 136989682

IUPACethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C13H19N3O3/c1-3-10-14-11(8-12(17)15-10)16-7-5-6-9(16)13(18)19-4-2/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyCVUZMZZCHFSSET-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds4

About ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate

ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (PubChem CID 136989682) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
PubChem CID136989682
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Nameethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate
SMILESCCOC(=O)C1CCCN1c1cc(=O)[nH]c(CC)n1
InChIInChI=1S/C13H19N3O3/c1-3-10-14-11(8-12(17)15-10)16-7-5-6-9(16)13(18)19-4-2/h8-9H,3-7H2,1-2H3,(H,14,15,17)
InChIKeyCVUZMZZCHFSSET-UHFFFAOYSA-N
XLogP0.86
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate (CID 136989682) is ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is CCOC(=O)C1CCCN1c1cc(=O)[nH]c(CC)n1.
What is the InChIKey of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
The InChIKey is CVUZMZZCHFSSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-10-14-11(8-12(17)15-10)16-7-5-6-9(16)13(18)19-4-2/h8-9H,3-7H2,1-2H3,(H,14,15,17).
What are the key properties of ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate?
ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 136989682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).