5-methyl-1-pyrimidin-5-ylpyridin-2-one

C10H9N3O — CID 44544878

IUPAC5-methyl-1-pyrimidin-5-ylpyridin-2-one
SMILESCc1ccc(=O)n(-c2cncnc2)c1
InChIInChI=1S/C10H9N3O/c1-8-2-3-10(14)13(6-8)9-4-11-7-12-5-9/h2-7H,1H3
InChIKeyQURLOEDJTRZTSU-UHFFFAOYSA-N
MW187.20 g/mol
LogP0.94
Rot. Bonds1

About 5-methyl-1-pyrimidin-5-ylpyridin-2-one

5-methyl-1-pyrimidin-5-ylpyridin-2-one (PubChem CID 44544878) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 5-methyl-1-pyrimidin-5-ylpyridin-2-one.

Molecular Properties

Compound Name5-methyl-1-pyrimidin-5-ylpyridin-2-one
PubChem CID44544878
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name5-methyl-1-pyrimidin-5-ylpyridin-2-one
SMILESCc1ccc(=O)n(-c2cncnc2)c1
InChIInChI=1S/C10H9N3O/c1-8-2-3-10(14)13(6-8)9-4-11-7-12-5-9/h2-7H,1H3
InChIKeyQURLOEDJTRZTSU-UHFFFAOYSA-N
XLogP0.94
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-pyrimidin-5-ylpyridin-2-one?
The IUPAC name of 5-methyl-1-pyrimidin-5-ylpyridin-2-one (CID 44544878) is 5-methyl-1-pyrimidin-5-ylpyridin-2-one.
What is the SMILES notation for 5-methyl-1-pyrimidin-5-ylpyridin-2-one?
The canonical SMILES for 5-methyl-1-pyrimidin-5-ylpyridin-2-one is Cc1ccc(=O)n(-c2cncnc2)c1.
What is the InChIKey of 5-methyl-1-pyrimidin-5-ylpyridin-2-one?
The InChIKey is QURLOEDJTRZTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-8-2-3-10(14)13(6-8)9-4-11-7-12-5-9/h2-7H,1H3.
What are the key properties of 5-methyl-1-pyrimidin-5-ylpyridin-2-one?
5-methyl-1-pyrimidin-5-ylpyridin-2-one has a molecular weight of 187.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-pyrimidin-5-ylpyridin-2-one is sourced from PubChem (CID 44544878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).