5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

C11H9FN2O4 — CID 112598223

IUPAC5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9FN2O4/c1-18-7-4-2-6(3-5-7)14-10(16)8(12)9(15)13-11(14)17/h2-5,16H,1H3,(H,13,15,17)
InChIKeyPUSXYIWSAALCSO-UHFFFAOYSA-N
MW252.20 g/mol
LogP0.38
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (PubChem CID 112598223) has the molecular formula C11H9FN2O4 and a molecular weight of 252.20 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
PubChem CID112598223
Molecular FormulaC11H9FN2O4
Molecular Weight252.20 g/mol
Exact Mass252.05
IUPAC Name5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
SMILESCOc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)cc1
InChIInChI=1S/C11H9FN2O4/c1-18-7-4-2-6(3-5-7)14-10(16)8(12)9(15)13-11(14)17/h2-5,16H,1H3,(H,13,15,17)
InChIKeyPUSXYIWSAALCSO-UHFFFAOYSA-N
XLogP0.38
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.20
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-1-(2-fluoro-5-methoxyphenyl)-6-hydroxypyrimidine-2,4-dione
CID 112601269
1-(2-bromo-5-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600912
1-(3-chloro-4-methoxyphenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598991
1-(3,4-difluorophenyl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598353
2-[(E)-1-[6-hydroxy-1-(4-methoxyphenyl)-2,4-dioxopyrimidin-5-yl]ethylideneamino]guanidine
CID 135684639
5-[C-ethyl-N-(2-fluorophenyl)carbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 3623610
5-[(E)-[3-(4-fluorophenyl)pyrazol-4-ylidene]methyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 135490733
4-hydroxy-3-(4-methoxyphenyl)-5-(2-methylsulfanylethyl)-1H-imidazol-2-one
CID 54324951
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)methyliminomethyl]pyrimidine-2,4-dione
CID 2844600
6-hydroxy-1-(4-methoxyphenyl)-5-[(E)-C-methyl-N-(4-methylpiperazin-1-yl)carbonimidoyl]pyrimidine-2,4-dione
CID 135822372
1-(4-chlorophenyl)-6-hydroxy-5-[(4-methoxyphenyl)iminomethyl]pyrimidine-2,4-dione
CID 2844562
6-hydroxy-1-(4-methoxyphenyl)-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 3627738

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione (CID 112598223) is 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is COc1ccc(-n2c(O)c(F)c(=O)[nH]c2=O)cc1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
The InChIKey is PUSXYIWSAALCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O4/c1-18-7-4-2-6(3-5-7)14-10(16)8(12)9(15)13-11(14)17/h2-5,16H,1H3,(H,13,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione has a molecular weight of 252.20 g/mol, XLogP of 0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112598223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).