3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

C11H16N2O2 — CID 59592028

IUPAC3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2n(c1=O)CCCC2O
InChIInChI=1S/C11H16N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h9,14H,3-6H2,1-2H3
InChIKeyMTOYCHPCXMAGDI-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.94
Rot. Bonds1

About 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one

3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 59592028) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID59592028
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1c(C)nc2n(c1=O)CCCC2O
InChIInChI=1S/C11H16N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h9,14H,3-6H2,1-2H3
InChIKeyMTOYCHPCXMAGDI-UHFFFAOYSA-N
XLogP0.94
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.94
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-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 59592028) is 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is CCc1c(C)nc2n(c1=O)CCCC2O.
What is the InChIKey of 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is MTOYCHPCXMAGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-3-8-7(2)12-10-9(14)5-4-6-13(10)11(8)15/h9,14H,3-6H2,1-2H3.
What are the key properties of 3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one?
3-ethyl-9-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 208.26 g/mol, XLogP of 0.94, 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-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59592028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).