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

C9H12N2O2 — CID 141043366

IUPAC9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(=O)N2CC=CC(O)=C2N1
InChIInChI=1S/C9H12N2O2/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6/h2-3,6,10,12H,4-5H2,1H3
InChIKeyIHJBKXUOSUJVJB-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.49
Rot. Bonds

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

9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one (PubChem CID 141043366) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
PubChem CID141043366
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one
SMILESCC1CC(=O)N2CC=CC(O)=C2N1
InChIInChI=1S/C9H12N2O2/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6/h2-3,6,10,12H,4-5H2,1H3
InChIKeyIHJBKXUOSUJVJB-UHFFFAOYSA-N
XLogP0.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one (CID 141043366) is 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one is CC1CC(=O)N2CC=CC(O)=C2N1.
What is the InChIKey of 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is IHJBKXUOSUJVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-5-8(13)11-4-2-3-7(12)9(11)10-6/h2-3,6,10,12H,4-5H2,1H3.
What are the key properties of 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 180.21 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methyl-1,2,3,6-tetrahydropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 141043366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).