5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione

C9H9FN2O3 — CID 106222270

IUPAC5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
SMILESC#CCCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O3/c1-2-3-4-5-12-8(14)6(10)7(13)11-9(12)15/h1,14H,3-5H2,(H,11,13,15)
InChIKeyJBIDCHCQDRXMGX-UHFFFAOYSA-N
MW212.18 g/mol
LogP-0.21
Rot. Bonds3

About 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione (PubChem CID 106222270) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
PubChem CID106222270
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
SMILESC#CCCCn1c(O)c(F)c(=O)[nH]c1=O
InChIInChI=1S/C9H9FN2O3/c1-2-3-4-5-12-8(14)6(10)7(13)11-9(12)15/h1,14H,3-5H2,(H,11,13,15)
InChIKeyJBIDCHCQDRXMGX-UHFFFAOYSA-N
XLogP-0.21
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222291
5-fluoro-6-hydroxy-1-(4,4,4-trifluorobutyl)pyrimidine-2,4-dione
CID 112601574
5-fluoro-6-hydroxy-1-(4-methoxybutyl)pyrimidine-2,4-dione
CID 112599755
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-fluoro-6-hydroxy-1-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-2,4-dione
CID 106106941
1-[(1-cyclopropylcyclopropyl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 114095411
1-decyl-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 115948792
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238
5-fluoro-6-hydroxy-1-[(1-methylsulfanylcyclobutyl)methyl]pyrimidine-2,4-dione
CID 114116688
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-fluoro-6-hydroxypyrimidine-2,4-dione
CID 112601153

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione (CID 106222270) is 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione is C#CCCCn1c(O)c(F)c(=O)[nH]c1=O.
What is the InChIKey of 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
The InChIKey is JBIDCHCQDRXMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c1-2-3-4-5-12-8(14)6(10)7(13)11-9(12)15/h1,14H,3-5H2,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione has a molecular weight of 212.18 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione is sourced from PubChem (CID 106222270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).