5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one

C11H8BrFN2O2 — CID 66285156

IUPAC5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(O)c(Br)c(=O)[nH]2)ccc1F
InChIInChI=1S/C11H8BrFN2O2/c1-5-4-6(2-3-7(5)13)9-14-10(16)8(12)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyNVPKWISMLYOKNM-UHFFFAOYSA-N
MW299.10 g/mol
LogP2.35
Rot. Bonds1

About 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one

5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66285156) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66285156
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCc1cc(-c2nc(O)c(Br)c(=O)[nH]2)ccc1F
InChIInChI=1S/C11H8BrFN2O2/c1-5-4-6(2-3-7(5)13)9-14-10(16)8(12)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyNVPKWISMLYOKNM-UHFFFAOYSA-N
XLogP2.35
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 66285156) is 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one is Cc1cc(-c2nc(O)c(Br)c(=O)[nH]2)ccc1F.
What is the InChIKey of 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is NVPKWISMLYOKNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c1-5-4-6(2-3-7(5)13)9-14-10(16)8(12)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17).
What are the key properties of 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 299.10 g/mol, XLogP of 2.35, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66285156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).