5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

C13H13ClN2O2 — CID 2729421

IUPAC5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H2,15,16,18)
InChIKeyGABJWTXMMJYRHL-UHFFFAOYSA-N
MW264.71 g/mol
LogP2.56
Rot. Bonds2

About 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one

5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (PubChem CID 2729421) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
PubChem CID2729421
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one
SMILESCC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1
InChIInChI=1S/C13H13ClN2O2/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H2,15,16,18)
InChIKeyGABJWTXMMJYRHL-UHFFFAOYSA-N
XLogP2.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-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-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The IUPAC name of 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one (CID 2729421) is 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one.
What is the SMILES notation for 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The canonical SMILES for 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is CC(=O)C1=C(C)NC(=O)NC1c1ccc(Cl)cc1.
What is the InChIKey of 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
The InChIKey is GABJWTXMMJYRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-7-11(8(2)17)12(16-13(18)15-7)9-3-5-10(14)6-4-9/h3-6,12H,1-2H3,(H2,15,16,18).
What are the key properties of 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one?
5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one has a molecular weight of 264.71 g/mol, XLogP of 2.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-(4-chlorophenyl)-6-methyl-3,4-dihydro-1H-pyrimidin-2-one is sourced from PubChem (CID 2729421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).