6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one

C32H27FN2O2 — CID 59012024

IUPAC6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one
SMILESCOc1c(F)cccc1-c1nc(C)n(-c2ccc(-c3ccccc3)cc2)c(=O)c1CCc1ccccc1
InChIInChI=1S/C32H27FN2O2/c1-22-34-30(27-14-9-15-29(33)31(27)37-2)28(21-16-23-10-5-3-6-11-23)32(36)35(22)26-19-17-25(18-20-26)24-12-7-4-8-13-24/h3-15,17-20H,16,21H2,1-2H3
InChIKeyRODZXTHFVGUICZ-UHFFFAOYSA-N
MW490.58 g/mol
LogP6.81
Rot. Bonds7

About 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one

6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one (PubChem CID 59012024) has the molecular formula C32H27FN2O2 and a molecular weight of 490.58 g/mol. Its IUPAC name is 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one
PubChem CID59012024
Molecular FormulaC32H27FN2O2
Molecular Weight490.58 g/mol
Exact Mass490.21
IUPAC Name6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one
SMILESCOc1c(F)cccc1-c1nc(C)n(-c2ccc(-c3ccccc3)cc2)c(=O)c1CCc1ccccc1
InChIInChI=1S/C32H27FN2O2/c1-22-34-30(27-14-9-15-29(33)31(27)37-2)28(21-16-23-10-5-3-6-11-23)32(36)35(22)26-19-17-25(18-20-26)24-12-7-4-8-13-24/h3-15,17-20H,16,21H2,1-2H3
InChIKeyRODZXTHFVGUICZ-UHFFFAOYSA-N
XLogP6.81
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.58
LogP ≤ 56.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one?
The IUPAC name of 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one (CID 59012024) is 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one.
What is the SMILES notation for 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one?
The canonical SMILES for 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one is COc1c(F)cccc1-c1nc(C)n(-c2ccc(-c3ccccc3)cc2)c(=O)c1CCc1ccccc1.
What is the InChIKey of 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one?
The InChIKey is RODZXTHFVGUICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27FN2O2/c1-22-34-30(27-14-9-15-29(33)31(27)37-2)28(21-16-23-10-5-3-6-11-23)32(36)35(22)26-19-17-25(18-20-26)24-12-7-4-8-13-24/h3-15,17-20H,16,21H2,1-2H3.
What are the key properties of 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one?
6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one has a molecular weight of 490.58 g/mol, XLogP of 6.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-2-methoxyphenyl)-2-methyl-5-(2-phenylethyl)-3-(4-phenylphenyl)pyrimidin-4-one is sourced from PubChem (CID 59012024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).