1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one

C15H19N3O — CID 146208744

IUPAC1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one
SMILESCCCC(C)c1ncc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-4-5-11(2)15-16-8-13(9-17-15)12-6-7-14(19)18(3)10-12/h6-11H,4-5H2,1-3H3
InChIKeyDSKFYICIIAMXHO-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.75
Rot. Bonds4

About 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one

1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one (PubChem CID 146208744) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one
PubChem CID146208744
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one
SMILESCCCC(C)c1ncc(-c2ccc(=O)n(C)c2)cn1
InChIInChI=1S/C15H19N3O/c1-4-5-11(2)15-16-8-13(9-17-15)12-6-7-14(19)18(3)10-12/h6-11H,4-5H2,1-3H3
InChIKeyDSKFYICIIAMXHO-UHFFFAOYSA-N
XLogP2.75
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one?
The IUPAC name of 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one (CID 146208744) is 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one.
What is the SMILES notation for 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one?
The canonical SMILES for 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one is CCCC(C)c1ncc(-c2ccc(=O)n(C)c2)cn1.
What is the InChIKey of 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one?
The InChIKey is DSKFYICIIAMXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-5-11(2)15-16-8-13(9-17-15)12-6-7-14(19)18(3)10-12/h6-11H,4-5H2,1-3H3.
What are the key properties of 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one?
1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one has a molecular weight of 257.34 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(2-pentan-2-ylpyrimidin-5-yl)pyridin-2-one is sourced from PubChem (CID 146208744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).