5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione

C9H13FN4O3 — CID 112601517

IUPAC5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCN1CCN(n2c(O)c(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H13FN4O3/c1-12-2-4-13(5-3-12)14-8(16)6(10)7(15)11-9(14)17/h16H,2-5H2,1H3,(H,11,15,17)
InChIKeyUKNFVYLCIIMBBI-UHFFFAOYSA-N
MW244.23 g/mol
LogP-1.74
Rot. Bonds1

About 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione (PubChem CID 112601517) has the molecular formula C9H13FN4O3 and a molecular weight of 244.23 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
PubChem CID112601517
Molecular FormulaC9H13FN4O3
Molecular Weight244.23 g/mol
Exact Mass244.10
IUPAC Name5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione
SMILESCN1CCN(n2c(O)c(F)c(=O)[nH]c2=O)CC1
InChIInChI=1S/C9H13FN4O3/c1-12-2-4-13(5-3-12)14-8(16)6(10)7(15)11-9(14)17/h16H,2-5H2,1H3,(H,11,15,17)
InChIKeyUKNFVYLCIIMBBI-UHFFFAOYSA-N
XLogP-1.74
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 5-1.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-tert-butyl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598735
5-fluoro-6-hydroxy-1-(1-methylcyclopentyl)pyrimidine-2,4-dione
CID 112601041
5-fluoro-6-hydroxy-1-(1-methylcyclohexyl)pyrimidine-2,4-dione
CID 112600139
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
1-butan-2-yl-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112598288
5-fluoro-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
CID 112598223
5-fluoro-6-hydroxy-1-(2-methylpentan-3-yl)pyrimidine-2,4-dione
CID 112599740
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688
1-(1-ethylpiperidin-3-yl)-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112599825
5-fluoro-1-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598333

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione (CID 112601517) is 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione is CN1CCN(n2c(O)c(F)c(=O)[nH]c2=O)CC1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
The InChIKey is UKNFVYLCIIMBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN4O3/c1-12-2-4-13(5-3-12)14-8(16)6(10)7(15)11-9(14)17/h16H,2-5H2,1H3,(H,11,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione has a molecular weight of 244.23 g/mol, XLogP of -1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(4-methylpiperazin-1-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 112601517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).