5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione

C5H5FN2O3 — CID 83872925

IUPAC5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O3/c1-8-4(10)2(6)3(9)7-5(8)11/h10H,1H3,(H,7,9,11)
InChIKeyLJABIJQWYSZHBI-UHFFFAOYSA-N
MW160.10 g/mol
LogP-1.08
Rot. Bonds

About 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione (PubChem CID 83872925) has the molecular formula C5H5FN2O3 and a molecular weight of 160.10 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione
PubChem CID83872925
Molecular FormulaC5H5FN2O3
Molecular Weight160.10 g/mol
Exact Mass160.03
IUPAC Name5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione
SMILESCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C5H5FN2O3/c1-8-4(10)2(6)3(9)7-5(8)11/h10H,1H3,(H,7,9,11)
InChIKeyLJABIJQWYSZHBI-UHFFFAOYSA-N
XLogP-1.08
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 5-1.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione (CID 83872925) is 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione is Cn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione?
The InChIKey is LJABIJQWYSZHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3/c1-8-4(10)2(6)3(9)7-5(8)11/h10H,1H3,(H,7,9,11).
What are the key properties of 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione has a molecular weight of 160.10 g/mol, XLogP of -1.08, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 83872925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).