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

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Related Compounds

5-(4-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79438089
5-(4-chlorophenyl)-4-hydroxy-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 79438649
2-(3-aminopentan-3-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79432601
2-(2-aminobutan-2-yl)-5-(4-chlorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79441539
2-[(dimethylamino)methyl]-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79436574
5-(4-chlorophenyl)-4-hydroxy-2-(1-methoxybutyl)-1H-pyrimidin-6-one
CID 116705970
4-hydroxy-5-(4-methylphenyl)-2-(methylsulfonylmethyl)-1H-pyrimidin-6-one
CID 79435826
2-(2-aminoethyl)-5-(4-fluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79442431
5-(3-chlorophenyl)-2-(ethoxymethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 79439793
5-(4-chlorophenyl)-2-(dichloromethyl)-4-ethyl-1H-pyrimidin-6-one
CID 135723857
2-ethyl-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 46734408
2-(butan-2-ylsulfanylmethyl)-4-hydroxy-5-(4-methylphenyl)-1H-pyrimidin-6-one
CID 79429800

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).