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

C19H27N3O — CID 118027871

IUPAC5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCCCCc1cnc(CC)nc1-c1cc(C)c(=O)n(C(C)C)c1
InChIInChI=1S/C19H27N3O/c1-6-8-9-15-11-20-17(7-2)21-18(15)16-10-14(5)19(23)22(12-16)13(3)4/h10-13H,6-9H2,1-5H3
InChIKeyXLZQVAZBBXJXRD-UHFFFAOYSA-N
MW313.45 g/mol
LogP4.10
Rot. Bonds6

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

5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one (PubChem CID 118027871) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
PubChem CID118027871
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC Name5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one
SMILESCCCCc1cnc(CC)nc1-c1cc(C)c(=O)n(C(C)C)c1
InChIInChI=1S/C19H27N3O/c1-6-8-9-15-11-20-17(7-2)21-18(15)16-10-14(5)19(23)22(12-16)13(3)4/h10-13H,6-9H2,1-5H3
InChIKeyXLZQVAZBBXJXRD-UHFFFAOYSA-N
XLogP4.10
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one (CID 118027871) is 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one is CCCCc1cnc(CC)nc1-c1cc(C)c(=O)n(C(C)C)c1.
What is the InChIKey of 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
The InChIKey is XLZQVAZBBXJXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-6-8-9-15-11-20-17(7-2)21-18(15)16-10-14(5)19(23)22(12-16)13(3)4/h10-13H,6-9H2,1-5H3.
What are the key properties of 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one?
5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one has a molecular weight of 313.45 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-butyl-2-ethylpyrimidin-4-yl)-3-methyl-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 118027871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).