2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one

C20H19FN2O — CID 46849277

IUPAC2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2ccc(F)cc2)n(CCc2ccccc2)c(=O)c1C
InChIInChI=1S/C20H19FN2O/c1-14-15(2)22-19(17-8-10-18(21)11-9-17)23(20(14)24)13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyQMUOLNGJUUVHGN-UHFFFAOYSA-N
MW322.38 g/mol
LogP3.91
Rot. Bonds4

About 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one

2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one (PubChem CID 46849277) has the molecular formula C20H19FN2O and a molecular weight of 322.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one
PubChem CID46849277
Molecular FormulaC20H19FN2O
Molecular Weight322.38 g/mol
Exact Mass322.15
IUPAC Name2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one
SMILESCc1nc(-c2ccc(F)cc2)n(CCc2ccccc2)c(=O)c1C
InChIInChI=1S/C20H19FN2O/c1-14-15(2)22-19(17-8-10-18(21)11-9-17)23(20(14)24)13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3
InChIKeyQMUOLNGJUUVHGN-UHFFFAOYSA-N
XLogP3.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[5-(4-fluorophenyl)-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methanol
CID 68881843
2-(3-fluorophenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475083
2-(3-fluorophenyl)-5-[5-[6-(hydroxymethyl)-3-pyridinyl]thiophen-2-yl]-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143971454
10-methyl-2-(4-methylphenyl)-3-(2-phenylethyl)pyrimido[4,5-b]quinoline-4,5-dione
CID 2032213
5-[4-(dimethylamino)phenyl]-2-(3-fluoro-2-hydroxyphenyl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712739
3-[2-(4-methoxyphenyl)ethyl]-2-(4-phenylphenyl)quinazolin-4-one
CID 17035993
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
2-(2-hydroxyphenyl)-5-iodo-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 135712805
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
5-bromo-2-(2-fluoro-3-methoxycyclohexa-1,3-dien-1-yl)-6-methyl-3-(2-phenylethyl)pyrimidin-4-one
CID 143475182
2-(2-fluoro-3-methoxyphenyl)-6-methyl-5-(2-methylpropyl)-3-(2-phenylethyl)pyrimidin-4-one
CID 68929895
4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
CID 175774431

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one?
The IUPAC name of 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one (CID 46849277) is 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one.
What is the SMILES notation for 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one?
The canonical SMILES for 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one is Cc1nc(-c2ccc(F)cc2)n(CCc2ccccc2)c(=O)c1C.
What is the InChIKey of 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one?
The InChIKey is QMUOLNGJUUVHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O/c1-14-15(2)22-19(17-8-10-18(21)11-9-17)23(20(14)24)13-12-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3.
What are the key properties of 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one?
2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one has a molecular weight of 322.38 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one is sourced from PubChem (CID 46849277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).