1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione

C5H5FN2O3 — CID 122690392

IUPAC1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(F)cc1CO
InChIInChI=1S/C5H5FN2O3/c6-8-1-3(2-9)4(10)7-5(8)11/h1,9H,2H2,(H,7,10,11)
InChIKeyGDRMMBBOSZSJLQ-UHFFFAOYSA-N
MW160.10 g/mol
LogP-1.24
Rot. Bonds1

About 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione

1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 122690392) has the molecular formula C5H5FN2O3 and a molecular weight of 160.10 g/mol. Its IUPAC name is 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione
PubChem CID122690392
Molecular FormulaC5H5FN2O3
Molecular Weight160.10 g/mol
Exact Mass160.03
IUPAC Name1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(F)cc1CO
InChIInChI=1S/C5H5FN2O3/c6-8-1-3(2-9)4(10)7-5(8)11/h1,9H,2H2,(H,7,10,11)
InChIKeyGDRMMBBOSZSJLQ-UHFFFAOYSA-N
XLogP-1.24
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.10
LogP ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione (CID 122690392) is 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(F)cc1CO.
What is the InChIKey of 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione?
The InChIKey is GDRMMBBOSZSJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5FN2O3/c6-8-1-3(2-9)4(10)7-5(8)11/h1,9H,2H2,(H,7,10,11).
What are the key properties of 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione?
1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 160.10 g/mol, XLogP of -1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-5-(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 122690392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).