2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid

C12H16N2O3 — CID 70513062

IUPAC2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCCc1nc2n(c(=O)c1C(=O)O)CC(C)CC2
InChIInChI=1S/C12H16N2O3/c1-3-8-10(12(16)17)11(15)14-6-7(2)4-5-9(14)13-8/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyWAHYRFPKUOTWIH-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.09
Rot. Bonds2

About 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid

2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid (PubChem CID 70513062) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
PubChem CID70513062
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid
SMILESCCc1nc2n(c(=O)c1C(=O)O)CC(C)CC2
InChIInChI=1S/C12H16N2O3/c1-3-8-10(12(16)17)11(15)14-6-7(2)4-5-9(14)13-8/h7H,3-6H2,1-2H3,(H,16,17)
InChIKeyWAHYRFPKUOTWIH-UHFFFAOYSA-N
XLogP1.09
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid (CID 70513062) is 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid is CCc1nc2n(c(=O)c1C(=O)O)CC(C)CC2.
What is the InChIKey of 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
The InChIKey is WAHYRFPKUOTWIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-3-8-10(12(16)17)11(15)14-6-7(2)4-5-9(14)13-8/h7H,3-6H2,1-2H3,(H,16,17).
What are the key properties of 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid?
2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-methyl-4-oxo-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 70513062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).