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

C11H8BrFN2O3 — CID 66311914

IUPAC5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(Br)c(=O)[nH]2)cc1F
InChIInChI=1S/C11H8BrFN2O3/c1-18-7-3-2-5(4-6(7)13)9-14-10(16)8(12)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyDZASKQOHMZIXRC-UHFFFAOYSA-N
MW315.10 g/mol
LogP2.05
Rot. Bonds2

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

5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 66311914) has the molecular formula C11H8BrFN2O3 and a molecular weight of 315.10 g/mol. Its IUPAC name is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
PubChem CID66311914
Molecular FormulaC11H8BrFN2O3
Molecular Weight315.10 g/mol
Exact Mass313.97
IUPAC Name5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
SMILESCOc1ccc(-c2nc(O)c(Br)c(=O)[nH]2)cc1F
InChIInChI=1S/C11H8BrFN2O3/c1-18-7-3-2-5(4-6(7)13)9-14-10(16)8(12)11(17)15-9/h2-4H,1H3,(H2,14,15,16,17)
InChIKeyDZASKQOHMZIXRC-UHFFFAOYSA-N
XLogP2.05
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.10
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(3,4-dimethoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66286164
5-bromo-2-(3-chloro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66312310
5-bromo-2-(4-fluoro-3-methylphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66285156
5-bromo-2-(4-chloro-2-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 106819074
5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284556
2-(3,4-dimethoxyphenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 63611423
5-bromo-4-hydroxy-2-naphthalen-2-yl-1H-pyrimidin-6-one
CID 66284557
5-bromo-2-(4-fluoro-3-methoxyphenyl)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136889677
2-(3-bromo-4-methoxyphenyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 63611790
4-hydroxy-5-iodo-2-(4-methoxy-3-methylphenyl)-1H-pyrimidin-6-one
CID 66313095
2-(3-chloro-4-methoxyphenyl)-4-hydroxy-5-iodo-1H-pyrimidin-6-one
CID 66312316
5-bromo-4-hydroxy-2-(3-propan-2-yloxyphenyl)-1H-pyrimidin-6-one
CID 66313092

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one (CID 66311914) is 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one is COc1ccc(-c2nc(O)c(Br)c(=O)[nH]2)cc1F.
What is the InChIKey of 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is DZASKQOHMZIXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O3/c1-18-7-3-2-5(4-6(7)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-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one?
5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 315.10 g/mol, XLogP of 2.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(3-fluoro-4-methoxyphenyl)-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 66311914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).