5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione

C6H7FN2O4 — CID 10535665

IUPAC5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(CO)c(=O)n1CO
InChIInChI=1S/C6H7FN2O4/c7-4-1-8(2-10)6(13)9(3-11)5(4)12/h1,10-11H,2-3H2
InChIKeyRKLBAAQBRHDGOA-UHFFFAOYSA-N
MW190.13 g/mol
LogP-1.95
Rot. Bonds2

About 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione

5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione (PubChem CID 10535665) has the molecular formula C6H7FN2O4 and a molecular weight of 190.13 g/mol. Its IUPAC name is 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione
PubChem CID10535665
Molecular FormulaC6H7FN2O4
Molecular Weight190.13 g/mol
Exact Mass190.04
IUPAC Name5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione
SMILESO=c1c(F)cn(CO)c(=O)n1CO
InChIInChI=1S/C6H7FN2O4/c7-4-1-8(2-10)6(13)9(3-11)5(4)12/h1,10-11H,2-3H2
InChIKeyRKLBAAQBRHDGOA-UHFFFAOYSA-N
XLogP-1.95
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.13
LogP ≤ 5-1.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione (CID 10535665) is 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione is O=c1c(F)cn(CO)c(=O)n1CO.
What is the InChIKey of 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione?
The InChIKey is RKLBAAQBRHDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7FN2O4/c7-4-1-8(2-10)6(13)9(3-11)5(4)12/h1,10-11H,2-3H2.
What are the key properties of 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione?
5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione has a molecular weight of 190.13 g/mol, XLogP of -1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1,3-bis(hydroxymethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 10535665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).