5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione

C11H10FN3O3 — CID 112599316

IUPAC5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESCC(c1ccncc1)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H10FN3O3/c1-6(7-2-4-13-5-3-7)15-10(17)8(12)9(16)14-11(15)18/h2-6,17H,1H3,(H,14,16,18)
InChIKeyPHRTXYNGLOYOAV-UHFFFAOYSA-N
MW251.22 g/mol
LogP0.39
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione (PubChem CID 112599316) has the molecular formula C11H10FN3O3 and a molecular weight of 251.22 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
PubChem CID112599316
Molecular FormulaC11H10FN3O3
Molecular Weight251.22 g/mol
Exact Mass251.07
IUPAC Name5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESCC(c1ccncc1)n1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C11H10FN3O3/c1-6(7-2-4-13-5-3-7)15-10(17)8(12)9(16)14-11(15)18/h2-6,17H,1H3,(H,14,16,18)
InChIKeyPHRTXYNGLOYOAV-UHFFFAOYSA-N
XLogP0.39
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.22
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-fluoro-6-hydroxy-1-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-dione
CID 112599840
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
1-[1-(2,5-dimethylfuran-3-yl)ethyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112600101
4,5-dihydroxy-3-(1-phenylethyl)-1H-imidazol-2-one
CID 91177320
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
6-hydroxy-5-[(6-hydroxy-1-methyl-2,4-dioxopyrimidin-5-yl)-pyridin-4-ylmethyl]-1-methylpyrimidine-2,4-dione
CID 3339869
6-chloro-1-(1-pyridin-4-ylethyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 59594593
5-ethyl-6-hydroxy-1-(1-phenylethyl)pyrimidine-2,4-dione
CID 112598276
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-4-carboxylic acid
CID 115541314
2-oxo-1-(1-pyridin-4-ylethyl)-3H-benzimidazole-5-carboxylic acid
CID 43524092
6-hydroxy-5-[[6-hydroxy-2,4-dioxo-1-[3-(trifluoromethyl)phenyl]pyrimidin-5-yl]-pyridin-4-ylmethyl]-1-[3-(trifluoromethyl)phenyl]pyrimidine-2,4-dione
CID 3264783
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione (CID 112599316) is 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione is CC(c1ccncc1)n1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The InChIKey is PHRTXYNGLOYOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O3/c1-6(7-2-4-13-5-3-7)15-10(17)8(12)9(16)14-11(15)18/h2-6,17H,1H3,(H,14,16,18).
What are the key properties of 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione has a molecular weight of 251.22 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(1-pyridin-4-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 112599316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).