1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

C12H11ClN2O3 — CID 112598234

IUPAC1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN2O3/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-4-7(13)6-8/h3-6,17H,2H2,1H3,(H,14,16,18)
InChIKeyROQHLLBDBGTFBT-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.45
Rot. Bonds2

About 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione

1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598234) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112598234
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN2O3/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-4-7(13)6-8/h3-6,17H,2H2,1H3,(H,14,16,18)
InChIKeyROQHLLBDBGTFBT-UHFFFAOYSA-N
XLogP1.45
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-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

Related Compounds

1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598250
1-[1-(3-chlorophenyl)ethyl]-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115947480
1-(4-chloro-3-nitrophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 107812190
1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946249
1-(5-chloro-2-methoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946125
1-(4-bromo-3-methylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598961
1-(1,3-benzodioxol-5-yl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946521
3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one
CID 91265163
1-(2,3-dimethylphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598557
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
5-ethyl-6-hydroxy-1-(2,4,5-trifluorophenyl)pyrimidine-2,4-dione
CID 115947928

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112598234) is 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2cccc(Cl)c2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is ROQHLLBDBGTFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-4-7(13)6-8/h3-6,17H,2H2,1H3,(H,14,16,18).
What are the key properties of 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione has a molecular weight of 266.68 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).