N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide

C11H8FN3O3 — CID 14478932

IUPACN-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c(O)nc[nH]c1=O
InChIInChI=1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-11(18)8-9(16)13-5-14-10(8)17/h1-5H,(H,15,18)(H2,13,14,16,17)
InChIKeyBWSOSTPVYAGLPG-UHFFFAOYSA-N
MW249.20 g/mol
LogP0.87
Rot. Bonds2

About N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide

N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide (PubChem CID 14478932) has the molecular formula C11H8FN3O3 and a molecular weight of 249.20 g/mol. Its IUPAC name is N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
PubChem CID14478932
Molecular FormulaC11H8FN3O3
Molecular Weight249.20 g/mol
Exact Mass249.05
IUPAC NameN-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1c(O)nc[nH]c1=O
InChIInChI=1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-11(18)8-9(16)13-5-14-10(8)17/h1-5H,(H,15,18)(H2,13,14,16,17)
InChIKeyBWSOSTPVYAGLPG-UHFFFAOYSA-N
XLogP0.87
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 50.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide (CID 14478932) is N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(F)cc1)c1c(O)nc[nH]c1=O.
What is the InChIKey of N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide?
The InChIKey is BWSOSTPVYAGLPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN3O3/c12-6-1-3-7(4-2-6)15-11(18)8-9(16)13-5-14-10(8)17/h1-5H,(H,15,18)(H2,13,14,16,17).
What are the key properties of N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide?
N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide has a molecular weight of 249.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-4-hydroxy-6-oxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 14478932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).