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

C9H8N2O2 — CID 59256677

IUPAC9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H8N2O2/c1-6-5-10-8-7(12)3-2-4-11(8)9(6)13/h2-5,12H,1H3
InChIKeyGSMMZXOGMZSYJX-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.71
Rot. Bonds

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

9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 59256677) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID59256677
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnc2c(O)cccn2c1=O
InChIInChI=1S/C9H8N2O2/c1-6-5-10-8-7(12)3-2-4-11(8)9(6)13/h2-5,12H,1H3
InChIKeyGSMMZXOGMZSYJX-UHFFFAOYSA-N
XLogP0.71
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 59256677) is 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one is Cc1cnc2c(O)cccn2c1=O.
What is the InChIKey of 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GSMMZXOGMZSYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c1-6-5-10-8-7(12)3-2-4-11(8)9(6)13/h2-5,12H,1H3.
What are the key properties of 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 176.17 g/mol, XLogP of 0.71, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 59256677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).