5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione

C18H15FN2O4 — CID 4907666

IUPAC5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(O)c(Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H15FN2O4/c1-25-14-4-2-3-13(10-14)21-17(23)15(16(22)20-18(21)24)9-11-5-7-12(19)8-6-11/h2-8,10,23H,9H2,1H3,(H,20,22,24)
InChIKeyWQSKMFIGBRARFX-UHFFFAOYSA-N
MW342.33 g/mol
LogP1.97
Rot. Bonds4

About 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione

5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 4907666) has the molecular formula C18H15FN2O4 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID4907666
Molecular FormulaC18H15FN2O4
Molecular Weight342.33 g/mol
Exact Mass342.10
IUPAC Name5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1cccc(-n2c(O)c(Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1
InChIInChI=1S/C18H15FN2O4/c1-25-14-4-2-3-13(10-14)21-17(23)15(16(22)20-18(21)24)9-11-5-7-12(19)8-6-11/h2-8,10,23H,9H2,1H3,(H,20,22,24)
InChIKeyWQSKMFIGBRARFX-UHFFFAOYSA-N
XLogP1.97
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3,5-dimethoxyphenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115946249
3-[(4-fluorophenyl)methyl]-4-hydroxy-1-[(3-methoxyphenyl)methyl]pyridin-2-one
CID 54687588
5-ethyl-1-(3-fluoro-4-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115946769
6-hydroxy-1-(3-methoxyphenyl)-5-[(1R)-3-oxo-1H-2-benzofuran-1-yl]pyrimidine-2,4-dione
CID 2293398
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598234
5-ethyl-1-(4-fluoro-2-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 115947418
6-fluoro-3-[(3-methoxyphenyl)methyl]-1H-benzimidazol-2-one
CID 117207476
5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-(3-methoxyphenyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 54727072
5-[(2,5-dimethylpyrrol-3-ylidene)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione
CID 2291302
3-(3-methoxyphenyl)-6-(trifluoromethyl)-1H-benzimidazol-2-one
CID 117207571

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione (CID 4907666) is 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione is COc1cccc(-n2c(O)c(Cc3ccc(F)cc3)c(=O)[nH]c2=O)c1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is WQSKMFIGBRARFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O4/c1-25-14-4-2-3-13(10-14)21-17(23)15(16(22)20-18(21)24)9-11-5-7-12(19)8-6-11/h2-8,10,23H,9H2,1H3,(H,20,22,24).
What are the key properties of 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione?
5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 342.33 g/mol, XLogP of 1.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-6-hydroxy-1-(3-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 4907666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).