ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate

C11H14N2O3 — CID 25067318

IUPACethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate
SMILESCCOC(=O)c1ccc(=O)n2c1NCCC2
InChIInChI=1S/C11H14N2O3/c1-2-16-11(15)8-4-5-9(14)13-7-3-6-12-10(8)13/h4-5,12H,2-3,6-7H2,1H3
InChIKeyMSMJOUSAHZUZJY-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.84
Rot. Bonds2

About ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate

ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate (PubChem CID 25067318) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate.

Molecular Properties

Compound Nameethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate
PubChem CID25067318
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Nameethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate
SMILESCCOC(=O)c1ccc(=O)n2c1NCCC2
InChIInChI=1S/C11H14N2O3/c1-2-16-11(15)8-4-5-9(14)13-7-3-6-12-10(8)13/h4-5,12H,2-3,6-7H2,1H3
InChIKeyMSMJOUSAHZUZJY-UHFFFAOYSA-N
XLogP0.84
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate?
The IUPAC name of ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate (CID 25067318) is ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate.
What is the SMILES notation for ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate?
The canonical SMILES for ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate is CCOC(=O)c1ccc(=O)n2c1NCCC2.
What is the InChIKey of ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate?
The InChIKey is MSMJOUSAHZUZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-2-16-11(15)8-4-5-9(14)13-7-3-6-12-10(8)13/h4-5,12H,2-3,6-7H2,1H3.
What are the key properties of ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate?
ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-oxo-1,2,3,4-tetrahydropyrido[1,2-a]pyrimidine-9-carboxylate is sourced from PubChem (CID 25067318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).