9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

C11H12N2O2 — CID 59532558

IUPAC9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C11H12N2O2/c1-7(2)8-6-10(15)13-5-3-4-9(14)11(13)12-8/h3-7,14H,1-2H3
InChIKeyFJOJEWOUFVZEFV-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.52
Rot. Bonds1

About 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 59532558) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID59532558
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(C)c1cc(=O)n2cccc(O)c2n1
InChIInChI=1S/C11H12N2O2/c1-7(2)8-6-10(15)13-5-3-4-9(14)11(13)12-8/h3-7,14H,1-2H3
InChIKeyFJOJEWOUFVZEFV-UHFFFAOYSA-N
XLogP1.52
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 ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one (CID 59532558) is 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is CC(C)c1cc(=O)n2cccc(O)c2n1.
What is the InChIKey of 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FJOJEWOUFVZEFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-7(2)8-6-10(15)13-5-3-4-9(14)11(13)12-8/h3-7,14H,1-2H3.
What are the key properties of 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 204.23 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59532558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).