2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

C10H10N2O2 — CID 16769569

IUPAC2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CO)cc(=O)n2c1
InChIInChI=1S/C10H10N2O2/c1-7-2-3-9-11-8(6-13)4-10(14)12(9)5-7/h2-5,13H,6H2,1H3
InChIKeyHQOACMLLEHXPMQ-UHFFFAOYSA-N
MW190.20 g/mol
LogP0.50
Rot. Bonds1

About 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one

2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 16769569) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID16769569
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CO)cc(=O)n2c1
InChIInChI=1S/C10H10N2O2/c1-7-2-3-9-11-8(6-13)4-10(14)12(9)5-7/h2-5,13H,6H2,1H3
InChIKeyHQOACMLLEHXPMQ-UHFFFAOYSA-N
XLogP0.50
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 16769569) is 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CO)cc(=O)n2c1.
What is the InChIKey of 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HQOACMLLEHXPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-2-3-9-11-8(6-13)4-10(14)12(9)5-7/h2-5,13H,6H2,1H3.
What are the key properties of 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 190.20 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 16769569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).