3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one

C22H23FN2O2 — CID 135423282

IUPAC3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one
SMILESCCCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O
InChIInChI=1S/C22H23FN2O2/c1-3-7-18-15(2)24-21(19-10-4-5-11-20(19)26)25(22(18)27)13-12-16-8-6-9-17(23)14-16/h4-6,8-11,14,26H,3,7,12-13H2,1-2H3
InChIKeyABCPJAUEYWYDRS-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.26
Rot. Bonds6

About 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one

3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one (PubChem CID 135423282) has the molecular formula C22H23FN2O2 and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one
PubChem CID135423282
Molecular FormulaC22H23FN2O2
Molecular Weight366.44 g/mol
Exact Mass366.17
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one
SMILESCCCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O
InChIInChI=1S/C22H23FN2O2/c1-3-7-18-15(2)24-21(19-10-4-5-11-20(19)26)25(22(18)27)13-12-16-8-6-9-17(23)14-16/h4-6,8-11,14,26H,3,7,12-13H2,1-2H3
InChIKeyABCPJAUEYWYDRS-UHFFFAOYSA-N
XLogP4.26
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135515453
5-benzyl-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4(3H)-one
CID 136334632
6-(2-hydroxyphenyl)-2-phenylpyrimidin-4-ol, Un-nameable (empty structure)
CID 135803995
2-(2-Hydroxy-phenyl)-5,6-dimethyl-3-phenethyl-3H-pyrimidin-4-one
CID 135422953
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5-isopropyl-6-methyl-3H-pyrimidin-4-one
CID 135430131
5-Ethyl-2-(2-hydroxy-phenyl)-6-methyl-3-phenethyl-3H-pyrimidin-4-one
CID 135454814
6-Fluoro-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-3H-quinazolin-4-one
CID 135492578
5-Cyclopropyl-3-[2-(3-fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-6-methyl-3H-pyrimidin-4-one
CID 135508434
2-(3-Fluoro-2-hydroxyphenyl)-6-methyl-5-(5-methyl-2-thienyl)-3-(2-phenylethyl)-4(3H)-pyrimidinone
CID 135513459
2-(2-Hydroxy-phenyl)-5-methyl-3-phenethyl-6-trifluoromethyl-3H-pyrimidin-4-one
CID 135537654
3-[2-(3-Fluoro-phenyl)-ethyl]-2-(2-hydroxy-phenyl)-5,6-dimethyl-3H-pyrimidin-4-one
CID 135540474
6-Fluoro-2-(2-hydroxy-phenyl)-3-phenethyl-3H-quinazolin-4-one
CID 135543644

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one (CID 135423282) is 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one is CCCc1c(C)nc(-c2ccccc2O)n(CCc2cccc(F)c2)c1=O.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one?
The InChIKey is ABCPJAUEYWYDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2/c1-3-7-18-15(2)24-21(19-10-4-5-11-20(19)26)25(22(18)27)13-12-16-8-6-9-17(23)14-16/h4-6,8-11,14,26H,3,7,12-13H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one?
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one has a molecular weight of 366.44 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methyl-5-propylpyrimidin-4-one is sourced from PubChem (CID 135423282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).