ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate

C12H12N2O3 — CID 13480896

IUPACethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cccc2ncc(C)c(=O)n12
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)9-5-4-6-10-13-7-8(2)11(15)14(9)10/h4-7H,3H2,1-2H3
InChIKeyQQOKAUAUCJTMIU-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.18
Rot. Bonds2

About ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate

ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate (PubChem CID 13480896) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
PubChem CID13480896
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC Nameethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1cccc2ncc(C)c(=O)n12
InChIInChI=1S/C12H12N2O3/c1-3-17-12(16)9-5-4-6-10-13-7-8(2)11(15)14(9)10/h4-7H,3H2,1-2H3
InChIKeyQQOKAUAUCJTMIU-UHFFFAOYSA-N
XLogP1.18
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate (CID 13480896) is ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate is CCOC(=O)c1cccc2ncc(C)c(=O)n12.
What is the InChIKey of ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate?
The InChIKey is QQOKAUAUCJTMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-3-17-12(16)9-5-4-6-10-13-7-8(2)11(15)14(9)10/h4-7H,3H2,1-2H3.
What are the key properties of ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate?
ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate has a molecular weight of 232.24 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-4-oxopyrido[1,2-a]pyrimidine-6-carboxylate is sourced from PubChem (CID 13480896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).