5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione

C12H9ClN2O3 — CID 3619026

IUPAC5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H9ClN2O3/c1-7(16)10-6-15(12(18)14-11(10)17)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17,18)
InChIKeyHVJVUYMPZACFTR-UHFFFAOYSA-N
MW264.67 g/mol
LogP1.38
Rot. Bonds2

About 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione

5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione (PubChem CID 3619026) has the molecular formula C12H9ClN2O3 and a molecular weight of 264.67 g/mol. Its IUPAC name is 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione
PubChem CID3619026
Molecular FormulaC12H9ClN2O3
Molecular Weight264.67 g/mol
Exact Mass264.03
IUPAC Name5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione
SMILESCC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H9ClN2O3/c1-7(16)10-6-15(12(18)14-11(10)17)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17,18)
InChIKeyHVJVUYMPZACFTR-UHFFFAOYSA-N
XLogP1.38
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione (CID 3619026) is 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione is CC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
The InChIKey is HVJVUYMPZACFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN2O3/c1-7(16)10-6-15(12(18)14-11(10)17)9-4-2-8(13)3-5-9/h2-6H,1H3,(H,14,17,18).
What are the key properties of 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione?
5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione has a molecular weight of 264.67 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(4-chlorophenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 3619026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).