5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione

C10H11FN4O3 — CID 106106941

IUPAC5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESCn1ccc(CCn2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H11FN4O3/c1-14-4-2-6(13-14)3-5-15-9(17)7(11)8(16)12-10(15)18/h2,4,17H,3,5H2,1H3,(H,12,16,18)
InChIKeyZOAYXWYTSNUGCD-UHFFFAOYSA-N
MW254.22 g/mol
LogP-0.64
Rot. Bonds3

About 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 106106941) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
PubChem CID106106941
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Name5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESCn1ccc(CCn2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C10H11FN4O3/c1-14-4-2-6(13-14)3-5-15-9(17)7(11)8(16)12-10(15)18/h2,4,17H,3,5H2,1H3,(H,12,16,18)
InChIKeyZOAYXWYTSNUGCD-UHFFFAOYSA-N
XLogP-0.64
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106946
6-amino-5-[2-(1-methylpyrazol-3-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 104626403
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
5-fluoro-6-hydroxy-1-(4-propan-2-yloxybutyl)pyrimidine-2,4-dione
CID 106006125
3-[2-(5-fluoro-6-hydroxy-2,4-dioxopyrimidin-1-yl)ethyl]-1,1-dimethylurea
CID 112601607
5-fluoro-6-hydroxy-1-(2-methylbutyl)pyrimidine-2,4-dione
CID 112600425
5-iodo-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
CID 82882692
3-[(1-methylpyrazol-3-yl)methyl]-2-oxo-1H-benzimidazole-5-carboxylic acid
CID 82873640
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112601153
N-[2-(1-methylpyrazol-3-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 106106203
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione (CID 106106941) is 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione is Cn1ccc(CCn2c(O)c(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is ZOAYXWYTSNUGCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3/c1-14-4-2-6(13-14)3-5-15-9(17)7(11)8(16)12-10(15)18/h2,4,17H,3,5H2,1H3,(H,12,16,18).
What are the key properties of 5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 254.22 g/mol, XLogP of -0.64, 3 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-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106106941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).