1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one

C11H11N3O — CID 23318802

IUPAC1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one
SMILESCc1c(-c2ncccn2)ccc(=O)n1C
InChIInChI=1S/C11H11N3O/c1-8-9(4-5-10(15)14(8)2)11-12-6-3-7-13-11/h3-7H,1-2H3
InChIKeyYKYJSCIVCCBGPP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.15
Rot. Bonds1

About 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one

1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one (PubChem CID 23318802) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one.

Molecular Properties

Compound Name1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one
PubChem CID23318802
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one
SMILESCc1c(-c2ncccn2)ccc(=O)n1C
InChIInChI=1S/C11H11N3O/c1-8-9(4-5-10(15)14(8)2)11-12-6-3-7-13-11/h3-7H,1-2H3
InChIKeyYKYJSCIVCCBGPP-UHFFFAOYSA-N
XLogP1.15
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one?
The IUPAC name of 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one (CID 23318802) is 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one.
What is the SMILES notation for 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one?
The canonical SMILES for 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one is Cc1c(-c2ncccn2)ccc(=O)n1C.
What is the InChIKey of 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one?
The InChIKey is YKYJSCIVCCBGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-8-9(4-5-10(15)14(8)2)11-12-6-3-7-13-11/h3-7H,1-2H3.
What are the key properties of 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one?
1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-5-pyrimidin-2-ylpyridin-2-one is sourced from PubChem (CID 23318802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).