5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one

C12H11ClN2O2 — CID 79442327

IUPAC5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C12H11ClN2O2/c1-2-9-14-11(16)10(12(17)15-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyJXJINRASYQPQIU-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.36
Rot. Bonds2

About 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one

5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 79442327) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID79442327
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCc1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C12H11ClN2O2/c1-2-9-14-11(16)10(12(17)15-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H2,14,15,16,17)
InChIKeyJXJINRASYQPQIU-UHFFFAOYSA-N
XLogP2.36
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-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-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one (CID 79442327) is 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one is CCc1nc(O)c(-c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is JXJINRASYQPQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-2-9-14-11(16)10(12(17)15-9)7-3-5-8(13)6-4-7/h3-6H,2H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one?
5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 250.69 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-ethyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 79442327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).