5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione

C10H7FN2O2 — CID 19735465

IUPAC5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione
SMILESO=C1N=CNC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5,8H,(H,12,13,14,15)
InChIKeyYHTHXRQIIVMVOA-UHFFFAOYSA-N
MW206.18 g/mol
LogP0.59
Rot. Bonds1

About 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione

5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione (PubChem CID 19735465) has the molecular formula C10H7FN2O2 and a molecular weight of 206.18 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione.

Molecular Properties

Compound Name5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione
PubChem CID19735465
Molecular FormulaC10H7FN2O2
Molecular Weight206.18 g/mol
Exact Mass206.05
IUPAC Name5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione
SMILESO=C1N=CNC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5,8H,(H,12,13,14,15)
InChIKeyYHTHXRQIIVMVOA-UHFFFAOYSA-N
XLogP0.59
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.18
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione?
The IUPAC name of 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione (CID 19735465) is 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione.
What is the SMILES notation for 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione?
The canonical SMILES for 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione is O=C1N=CNC(=O)C1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione?
The InChIKey is YHTHXRQIIVMVOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FN2O2/c11-7-3-1-6(2-4-7)8-9(14)12-5-13-10(8)15/h1-5,8H,(H,12,13,14,15).
What are the key properties of 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione?
5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione has a molecular weight of 206.18 g/mol, XLogP of 0.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-1H-pyrimidine-4,6-dione is sourced from PubChem (CID 19735465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).