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

C20H19FN2O2 — CID 135540474

IUPAC3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C
InChIInChI=1S/C20H19FN2O2/c1-13-14(2)22-19(17-8-3-4-9-18(17)24)23(20(13)25)11-10-15-6-5-7-16(21)12-15/h3-9,12,24H,10-11H2,1-2H3
InChIKeyFHWPMBMRZSDIGY-UHFFFAOYSA-N
MW338.38 g/mol
LogP3.61
Rot. Bonds4

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

3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one (PubChem CID 135540474) has the molecular formula C20H19FN2O2 and a molecular weight of 338.38 g/mol. Its IUPAC name is 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one
PubChem CID135540474
Molecular FormulaC20H19FN2O2
Molecular Weight338.38 g/mol
Exact Mass338.14
IUPAC Name3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one
SMILESCc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C
InChIInChI=1S/C20H19FN2O2/c1-13-14(2)22-19(17-8-3-4-9-18(17)24)23(20(13)25)11-10-15-6-5-7-16(21)12-15/h3-9,12,24H,10-11H2,1-2H3
InChIKeyFHWPMBMRZSDIGY-UHFFFAOYSA-N
XLogP3.61
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one?
The IUPAC name of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one (CID 135540474) is 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one?
The canonical SMILES for 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one is Cc1nc(-c2ccccc2O)n(CCc2cccc(F)c2)c(=O)c1C.
What is the InChIKey of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one?
The InChIKey is FHWPMBMRZSDIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O2/c1-13-14(2)22-19(17-8-3-4-9-18(17)24)23(20(13)25)11-10-15-6-5-7-16(21)12-15/h3-9,12,24H,10-11H2,1-2H3.
What are the key properties of 3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one?
3-[2-(3-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-5,6-dimethylpyrimidin-4-one has a molecular weight of 338.38 g/mol, XLogP of 3.61, 4 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)-5,6-dimethylpyrimidin-4-one is sourced from PubChem (CID 135540474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).