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

C9H9FN4O3 — CID 112601556

IUPAC5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCn1ccc(Cn2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9FN4O3/c1-13-3-2-5(12-13)4-14-8(16)6(10)7(15)11-9(14)17/h2-3,16H,4H2,1H3,(H,11,15,17)
InChIKeyNKNGFXKCXIIBGE-UHFFFAOYSA-N
MW240.19 g/mol
LogP-0.84
Rot. Bonds2

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

5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (PubChem CID 112601556) has the molecular formula C9H9FN4O3 and a molecular weight of 240.19 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
PubChem CID112601556
Molecular FormulaC9H9FN4O3
Molecular Weight240.19 g/mol
Exact Mass240.07
IUPAC Name5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione
SMILESCn1ccc(Cn2c(O)c(F)c(=O)[nH]c2=O)n1
InChIInChI=1S/C9H9FN4O3/c1-13-3-2-5(12-13)4-14-8(16)6(10)7(15)11-9(14)17/h2-3,16H,4H2,1H3,(H,11,15,17)
InChIKeyNKNGFXKCXIIBGE-UHFFFAOYSA-N
XLogP-0.84
TPSA92.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.19
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione (CID 112601556) is 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is Cn1ccc(Cn2c(O)c(F)c(=O)[nH]c2=O)n1.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
The InChIKey is NKNGFXKCXIIBGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O3/c1-13-3-2-5(12-13)4-14-8(16)6(10)7(15)11-9(14)17/h2-3,16H,4H2,1H3,(H,11,15,17).
What are the key properties of 5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione has a molecular weight of 240.19 g/mol, XLogP of -0.84, 2 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-[(1-methylpyrazol-3-yl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 112601556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).