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

C21H21FN2O2 — CID 135515453

IUPAC5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
SMILESCCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2F)c1=O
InChIInChI=1S/C21H21FN2O2/c1-3-16-14(2)23-20(17-9-5-7-11-19(17)25)24(21(16)26)13-12-15-8-4-6-10-18(15)22/h4-11,25H,3,12-13H2,1-2H3
InChIKeyJYFJNCCRKBBRKZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.87
Rot. Bonds5

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

5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one (PubChem CID 135515453) has the molecular formula C21H21FN2O2 and a molecular weight of 352.41 g/mol. Its IUPAC name is 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
PubChem CID135515453
Molecular FormulaC21H21FN2O2
Molecular Weight352.41 g/mol
Exact Mass352.16
IUPAC Name5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
SMILESCCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2F)c1=O
InChIInChI=1S/C21H21FN2O2/c1-3-16-14(2)23-20(17-9-5-7-11-19(17)25)24(21(16)26)13-12-15-8-4-6-10-18(15)22/h4-11,25H,3,12-13H2,1-2H3
InChIKeyJYFJNCCRKBBRKZ-UHFFFAOYSA-N
XLogP3.87
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-Hydroxyphenyl)-6-methyl-4-pyrimidinol
CID 135421721
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)-6-methyl-5-propyl-3H-pyrimidin-4-one
CID 135423282
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
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 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The IUPAC name of 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one (CID 135515453) is 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one is CCc1c(C)nc(-c2ccccc2O)n(CCc2ccccc2F)c1=O.
What is the InChIKey of 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The InChIKey is JYFJNCCRKBBRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O2/c1-3-16-14(2)23-20(17-9-5-7-11-19(17)25)24(21(16)26)13-12-15-8-4-6-10-18(15)22/h4-11,25H,3,12-13H2,1-2H3.
What are the key properties of 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one has a molecular weight of 352.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 135515453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).