ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate

C11H16N2O4 — CID 64533217

IUPACethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)OCC)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-4-16-7(3)9-12-6-8(10(14)13-9)11(15)17-5-2/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyGNYZILILBLGBQV-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.04
Rot. Bonds5

About ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate

ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate (PubChem CID 64533217) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
PubChem CID64533217
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Nameethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)OCC)[nH]c1=O
InChIInChI=1S/C11H16N2O4/c1-4-16-7(3)9-12-6-8(10(14)13-9)11(15)17-5-2/h6-7H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyGNYZILILBLGBQV-UHFFFAOYSA-N
XLogP1.04
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate (CID 64533217) is ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)OCC)[nH]c1=O.
What is the InChIKey of ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
The InChIKey is GNYZILILBLGBQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-16-7(3)9-12-6-8(10(14)13-9)11(15)17-5-2/h6-7H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate?
ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-ethoxyethyl)-6-oxo-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 64533217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).