5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione

C15H13FN2O3 — CID 106222291

IUPAC5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
SMILESC#CCCCn1c(O)c(-c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C15H13FN2O3/c1-2-3-6-9-18-14(20)12(13(19)17-15(18)21)10-7-4-5-8-11(10)16/h1,4-5,7-8,20H,3,6,9H2,(H,17,19,21)
InChIKeyKKZOMFLCOSPKMJ-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.46
Rot. Bonds4

About 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione

5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione (PubChem CID 106222291) has the molecular formula C15H13FN2O3 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
PubChem CID106222291
Molecular FormulaC15H13FN2O3
Molecular Weight288.28 g/mol
Exact Mass288.09
IUPAC Name5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
SMILESC#CCCCn1c(O)c(-c2ccccc2F)c(=O)[nH]c1=O
InChIInChI=1S/C15H13FN2O3/c1-2-3-6-9-18-14(20)12(13(19)17-15(18)21)10-7-4-5-8-11(10)16/h1,4-5,7-8,20H,3,6,9H2,(H,17,19,21)
InChIKeyKKZOMFLCOSPKMJ-UHFFFAOYSA-N
XLogP1.46
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.46
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-propylpyrimidine-2,4-dione
CID 112598483
3-[5-(2-fluorophenyl)-6-hydroxy-2,4-dioxopyrimidin-1-yl]propanamide
CID 115946840
5-fluoro-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione
CID 106222270
1-cyclopropyl-5-(2-fluorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 112598423
1-but-3-ynyl-5-(3-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
CID 115948238
5-(2-chlorophenyl)-6-hydroxy-1-(3-methylbutyl)pyrimidine-2,4-dione
CID 115946168
6-(2-fluorophenyl)-5-hydroxy-8H-imidazo[1,2-a]pyrimidin-7-one
CID 68751690
6-hydroxy-1-(3-methylbutyl)-5-(2-methylphenyl)pyrimidine-2,4-dione
CID 115946162
6-hydroxy-1-(4-methylpentyl)-5-phenylpyrimidine-2,4-dione
CID 115948124
6-hydroxy-5-phenyl-1-(3,3,3-trifluoropropyl)pyrimidine-2,4-dione
CID 115948074
3-(2-fluorophenyl)-4-hydroxy-1H-quinolin-2-one
CID 54714378
5-(3-fluorophenyl)-6-hydroxy-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 115946665

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
The IUPAC name of 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione (CID 106222291) is 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
The canonical SMILES for 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione is C#CCCCn1c(O)c(-c2ccccc2F)c(=O)[nH]c1=O.
What is the InChIKey of 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
The InChIKey is KKZOMFLCOSPKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2O3/c1-2-3-6-9-18-14(20)12(13(19)17-15(18)21)10-7-4-5-8-11(10)16/h1,4-5,7-8,20H,3,6,9H2,(H,17,19,21).
What are the key properties of 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione?
5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione has a molecular weight of 288.28 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-6-hydroxy-1-pent-4-ynylpyrimidine-2,4-dione is sourced from PubChem (CID 106222291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).