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

C12H11ClN2O3 — CID 112598250

IUPAC1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN2O3/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-7(13)4-6-8/h3-6,17H,2H2,1H3,(H,14,16,18)
InChIKeyRQWWWBZHDDLEFK-UHFFFAOYSA-N
MW266.68 g/mol
LogP1.45
Rot. Bonds2

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

1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (PubChem CID 112598250) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
PubChem CID112598250
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
SMILESCCc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O
InChIInChI=1S/C12H11ClN2O3/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-7(13)4-6-8/h3-6,17H,2H2,1H3,(H,14,16,18)
InChIKeyRQWWWBZHDDLEFK-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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The IUPAC name of 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione (CID 112598250) is 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The canonical SMILES for 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is CCc1c(O)n(-c2ccc(Cl)cc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
The InChIKey is RQWWWBZHDDLEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-2-9-10(16)14-12(18)15(11(9)17)8-5-3-7(13)4-6-8/h3-6,17H,2H2,1H3,(H,14,16,18).
What are the key properties of 1-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione?
1-(4-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-(4-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione is sourced from PubChem (CID 112598250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).