ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

C11H10N2O3 — CID 852075

IUPACethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)8-7-10(14)13-6-4-3-5-9(13)12-8/h3-7H,2H2,1H3
InChIKeyWKNADLYOSBJHPM-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.87
Rot. Bonds2

About ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate

ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (PubChem CID 852075) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
PubChem CID852075
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Nameethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate
SMILESCCOC(=O)c1cc(=O)n2ccccc2n1
InChIInChI=1S/C11H10N2O3/c1-2-16-11(15)8-7-10(14)13-6-4-3-5-9(13)12-8/h3-7H,2H2,1H3
InChIKeyWKNADLYOSBJHPM-UHFFFAOYSA-N
XLogP0.87
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The IUPAC name of ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate (CID 852075) is ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate.
What is the SMILES notation for ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The canonical SMILES for ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is CCOC(=O)c1cc(=O)n2ccccc2n1.
What is the InChIKey of ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
The InChIKey is WKNADLYOSBJHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-2-16-11(15)8-7-10(14)13-6-4-3-5-9(13)12-8/h3-7H,2H2,1H3.
What are the key properties of ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate?
ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate has a molecular weight of 218.21 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-oxopyrido[1,2-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 852075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).