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

C19H17FN2O2 — CID 135483641

IUPAC3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2F)c(-c2ccccc2O)n1
InChIInChI=1S/C19H17FN2O2/c1-13-12-18(24)22(11-10-14-6-2-4-8-16(14)20)19(21-13)15-7-3-5-9-17(15)23/h2-9,12,23H,10-11H2,1H3
InChIKeyIITRZYOFELTAMW-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.31
Rot. Bonds4

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

3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one (PubChem CID 135483641) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
PubChem CID135483641
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one
SMILESCc1cc(=O)n(CCc2ccccc2F)c(-c2ccccc2O)n1
InChIInChI=1S/C19H17FN2O2/c1-13-12-18(24)22(11-10-14-6-2-4-8-16(14)20)19(21-13)15-7-3-5-9-17(15)23/h2-9,12,23H,10-11H2,1H3
InChIKeyIITRZYOFELTAMW-UHFFFAOYSA-N
XLogP3.31
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one (CID 135483641) is 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one is Cc1cc(=O)n(CCc2ccccc2F)c(-c2ccccc2O)n1.
What is the InChIKey of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
The InChIKey is IITRZYOFELTAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-13-12-18(24)22(11-10-14-6-2-4-8-16(14)20)19(21-13)15-7-3-5-9-17(15)23/h2-9,12,23H,10-11H2,1H3.
What are the key properties of 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one?
3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one has a molecular weight of 324.36 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-fluorophenyl)ethyl]-2-(2-hydroxyphenyl)-6-methylpyrimidin-4-one is sourced from PubChem (CID 135483641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).