5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione

C11H9FN2O3 — CID 130324862

IUPAC5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(O)cc2)cc1F
InChIInChI=1S/C11H9FN2O3/c12-9-6-14(11(17)13-10(9)16)5-7-1-3-8(15)4-2-7/h1-4,6,15H,5H2,(H,13,16,17)
InChIKeyVLISEZBEUVCTGR-UHFFFAOYSA-N
MW236.20 g/mol
LogP0.43
Rot. Bonds2

About 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione

5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione (PubChem CID 130324862) has the molecular formula C11H9FN2O3 and a molecular weight of 236.20 g/mol. Its IUPAC name is 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione
PubChem CID130324862
Molecular FormulaC11H9FN2O3
Molecular Weight236.20 g/mol
Exact Mass236.06
IUPAC Name5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccc(O)cc2)cc1F
InChIInChI=1S/C11H9FN2O3/c12-9-6-14(11(17)13-10(9)16)5-7-1-3-8(15)4-2-7/h1-4,6,15H,5H2,(H,13,16,17)
InChIKeyVLISEZBEUVCTGR-UHFFFAOYSA-N
XLogP0.43
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.20
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione (CID 130324862) is 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccc(O)cc2)cc1F.
What is the InChIKey of 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is VLISEZBEUVCTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN2O3/c12-9-6-14(11(17)13-10(9)16)5-7-1-3-8(15)4-2-7/h1-4,6,15H,5H2,(H,13,16,17).
What are the key properties of 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione?
5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 236.20 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-[(4-hydroxyphenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 130324862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).