5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one

C18H25N3O — CID 118027872

IUPAC5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCCCCc1cnc(C)nc1-c1cc(C)c(=O)n(C(C)C)c1
InChIInChI=1S/C18H25N3O/c1-6-7-8-15-10-19-14(5)20-17(15)16-9-13(4)18(22)21(11-16)12(2)3/h9-12H,6-8H2,1-5H3
InChIKeyWQGAPIABMUQAJO-UHFFFAOYSA-N
MW299.42 g/mol
LogP3.85
Rot. Bonds5

About 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one

5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 118027872) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
PubChem CID118027872
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC Name5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCCCCc1cnc(C)nc1-c1cc(C)c(=O)n(C(C)C)c1
InChIInChI=1S/C18H25N3O/c1-6-7-8-15-10-19-14(5)20-17(15)16-9-13(4)18(22)21(11-16)12(2)3/h9-12H,6-8H2,1-5H3
InChIKeyWQGAPIABMUQAJO-UHFFFAOYSA-N
XLogP3.85
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one (CID 118027872) is 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one is CCCCc1cnc(C)nc1-c1cc(C)c(=O)n(C(C)C)c1.
What is the InChIKey of 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is WQGAPIABMUQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-6-7-8-15-10-19-14(5)20-17(15)16-9-13(4)18(22)21(11-16)12(2)3/h9-12H,6-8H2,1-5H3.
What are the key properties of 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 299.42 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butyl-2-methylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 118027872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).