3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

C11H12N2O2 — CID 12527413

IUPAC3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2c(O)cccn2c1=O
InChIInChI=1S/C11H12N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h4-6,14H,3H2,1-2H3
InChIKeyOVODQUQALNUNAB-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.27
Rot. Bonds1

About 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one

3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 12527413) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID12527413
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2c(O)cccn2c1=O
InChIInChI=1S/C11H12N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h4-6,14H,3H2,1-2H3
InChIKeyOVODQUQALNUNAB-UHFFFAOYSA-N
XLogP1.27
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one (CID 12527413) is 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is CCc1c(C)nc2c(O)cccn2c1=O.
What is the InChIKey of 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OVODQUQALNUNAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h4-6,14H,3H2,1-2H3.
What are the key properties of 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one?
3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.27, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-9-hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 12527413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).