5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione

C8H11FN2O4 — CID 12802673

IUPAC5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione
SMILESCOC(CCO)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O4/c1-15-6(2-3-12)11-4-5(9)7(13)10-8(11)14/h4,6,12H,2-3H2,1H3,(H,10,13,14)
InChIKeyFNFWTCXMYQEKPM-UHFFFAOYSA-N
MW218.18 g/mol
LogP-0.80
Rot. Bonds4

About 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione

5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione (PubChem CID 12802673) has the molecular formula C8H11FN2O4 and a molecular weight of 218.18 g/mol. Its IUPAC name is 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione
PubChem CID12802673
Molecular FormulaC8H11FN2O4
Molecular Weight218.18 g/mol
Exact Mass218.07
IUPAC Name5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione
SMILESCOC(CCO)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C8H11FN2O4/c1-15-6(2-3-12)11-4-5(9)7(13)10-8(11)14/h4,6,12H,2-3H2,1H3,(H,10,13,14)
InChIKeyFNFWTCXMYQEKPM-UHFFFAOYSA-N
XLogP-0.80
TPSA84.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.18
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione (CID 12802673) is 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione is COC(CCO)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione?
The InChIKey is FNFWTCXMYQEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O4/c1-15-6(2-3-12)11-4-5(9)7(13)10-8(11)14/h4,6,12H,2-3H2,1H3,(H,10,13,14).
What are the key properties of 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione?
5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione has a molecular weight of 218.18 g/mol, XLogP of -0.80, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(3-hydroxy-1-methoxypropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 12802673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).