2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one

C12H10ClFN2O — CID 135418978

IUPAC2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H10ClFN2O/c1-2-8-6-11(17)16-12(15-8)7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyUZEJYXUXZSOCPA-UHFFFAOYSA-N
MW252.68 g/mol
LogP2.79
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one

2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 135418978) has the molecular formula C12H10ClFN2O and a molecular weight of 252.68 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID135418978
Molecular FormulaC12H10ClFN2O
Molecular Weight252.68 g/mol
Exact Mass252.05
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(-c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C12H10ClFN2O/c1-2-8-6-11(17)16-12(15-8)7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H,15,16,17)
InChIKeyUZEJYXUXZSOCPA-UHFFFAOYSA-N
XLogP2.79
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.68
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-phenylpyrimidin-4-ol
CID 135448999
2-(4-Chlorophenyl)-6-methyl-4-pyrimidinol
CID 135473093
2-(3-Chloro-phenyl)-5-methyl-pyrazolo[1,5-a]pyrimidin-7-ol
CID 764165
6-Methyl-2-(4-(trifluoromethyl)phenyl)pyrimidin-4-ol
CID 135435537
6-Methyl-2-(3-methylphenyl)pyrimidin-4-ol
CID 135472983
4-Hydroxy-2-phenyl-6-(trifluoromethyl)pyrimidine
CID 135410007
6-(Nonafluorobutyl)-2-phenylpyrimidin-4(3H)-one
CID 135446520
2-(4-Methylphenyl)-6-(trifluoromethyl)-4-pyrimidinol
CID 135406355
2-(4-Fluorophenyl)-6-methylpyrimidin-4(1H)-one
CID 135629608
6-(Chloromethyl)-2-phenylpyrimidin-4-ol
CID 135504753
2-[2-(3-chlorophenyl)-4-methyl-6-oxopyrimidin-1(6H)-yl]-N-(3-methylbutyl)acetamide
CID 49816635
2-(3-chloro-4-fluorophenyl)-4-methyl-5-prop-2-enyl-1H-pyrimidin-6-one
CID 135473108

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one (CID 135418978) is 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(-c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is UZEJYXUXZSOCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFN2O/c1-2-8-6-11(17)16-12(15-8)7-3-4-10(14)9(13)5-7/h3-6H,2H2,1H3,(H,15,16,17).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one?
2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 252.68 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135418978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).