5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione

C12H11FN2O4 — CID 112599650

IUPAC5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccc(O)cc2)c(O)c1F
InChIInChI=1S/C12H11FN2O4/c13-9-10(17)14-12(19)15(11(9)18)6-5-7-1-3-8(16)4-2-7/h1-4,16,18H,5-6H2,(H,14,17,19)
InChIKeyDLWOYCDTXXUQDF-UHFFFAOYSA-N
MW266.23 g/mol
LogP0.33
Rot. Bonds3

About 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione (PubChem CID 112599650) has the molecular formula C12H11FN2O4 and a molecular weight of 266.23 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione
PubChem CID112599650
Molecular FormulaC12H11FN2O4
Molecular Weight266.23 g/mol
Exact Mass266.07
IUPAC Name5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ccc(O)cc2)c(O)c1F
InChIInChI=1S/C12H11FN2O4/c13-9-10(17)14-12(19)15(11(9)18)6-5-7-1-3-8(16)4-2-7/h1-4,16,18H,5-6H2,(H,14,17,19)
InChIKeyDLWOYCDTXXUQDF-UHFFFAOYSA-N
XLogP0.33
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.23
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione 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 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione (CID 112599650) is 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCc2ccc(O)cc2)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione?
The InChIKey is DLWOYCDTXXUQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O4/c13-9-10(17)14-12(19)15(11(9)18)6-5-7-1-3-8(16)4-2-7/h1-4,16,18H,5-6H2,(H,14,17,19).
What are the key properties of 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione has a molecular weight of 266.23 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-[2-(4-hydroxyphenyl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112599650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).