5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione

C14H13ClN2O3 — CID 80643490

IUPAC5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H13ClN2O3/c1-8(10-3-5-11(15)6-4-10)17-13(19)12(9(2)18)7-16-14(17)20/h3-8H,1-2H3,(H,16,20)
InChIKeyVZVJQJUYKIPOME-UHFFFAOYSA-N
MW292.72 g/mol
LogP2.00
Rot. Bonds3

About 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione

5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione (PubChem CID 80643490) has the molecular formula C14H13ClN2O3 and a molecular weight of 292.72 g/mol. Its IUPAC name is 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione
PubChem CID80643490
Molecular FormulaC14H13ClN2O3
Molecular Weight292.72 g/mol
Exact Mass292.06
IUPAC Name5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione
SMILESCC(=O)c1c[nH]c(=O)n(C(C)c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C14H13ClN2O3/c1-8(10-3-5-11(15)6-4-10)17-13(19)12(9(2)18)7-16-14(17)20/h3-8H,1-2H3,(H,16,20)
InChIKeyVZVJQJUYKIPOME-UHFFFAOYSA-N
XLogP2.00
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione 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-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione (CID 80643490) is 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione is CC(=O)c1c[nH]c(=O)n(C(C)c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione?
The InChIKey is VZVJQJUYKIPOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3/c1-8(10-3-5-11(15)6-4-10)17-13(19)12(9(2)18)7-16-14(17)20/h3-8H,1-2H3,(H,16,20).
What are the key properties of 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione?
5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione has a molecular weight of 292.72 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-3-[1-(4-chlorophenyl)ethyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 80643490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).