2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one

C11H8BrFN2O2 — CID 114204896

IUPAC2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)cc(Br)c2)ncc1CO
InChIInChI=1S/C11H8BrFN2O2/c12-8-1-6(2-9(13)3-8)10-14-4-7(5-16)11(17)15-10/h1-4,16H,5H2,(H,14,15,17)
InChIKeyDKTMESQDDOAYSK-UHFFFAOYSA-N
MW299.10 g/mol
LogP1.83
Rot. Bonds2

About 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one

2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (PubChem CID 114204896) has the molecular formula C11H8BrFN2O2 and a molecular weight of 299.10 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
PubChem CID114204896
Molecular FormulaC11H8BrFN2O2
Molecular Weight299.10 g/mol
Exact Mass297.98
IUPAC Name2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2cc(F)cc(Br)c2)ncc1CO
InChIInChI=1S/C11H8BrFN2O2/c12-8-1-6(2-9(13)3-8)10-14-4-7(5-16)11(17)15-10/h1-4,16H,5H2,(H,14,15,17)
InChIKeyDKTMESQDDOAYSK-UHFFFAOYSA-N
XLogP1.83
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.10
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(3-bromo-5-fluorophenyl)-1H-imidazol-5-yl]methanol
CID 66425690
2-(3-bromo-5-fluorophenyl)-4-hydroxy-5-methyl-1H-pyrimidin-6-one
CID 66424216
2-[2-(3-fluorophenyl)-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 46948710
2-(3-bromo-5-fluorophenyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941552
5-bromo-2-(3,5-difluorophenyl)-4-hydroxy-1H-pyrimidin-6-one
CID 66284556
2-(3-fluorophenyl)-5-hydroxy-1H-pyrimidin-6-one
CID 118714566
5-(hydroxymethyl)-2-[3-(4-methylsulfonylphenoxy)-5-propan-2-yloxyphenyl]-1H-pyrimidin-6-one
CID 54766655
2-(2-bromo-4-fluorophenyl)-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 114206213
[2-(3-fluorophenyl)-1H-imidazol-5-yl]methanol
CID 10081278
2-(3-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021110
2-[(3,5-dimethylphenyl)methyl]-5-(hydroxymethyl)-1H-pyrimidin-6-one
CID 114204917
2-(3-bromo-5-fluorophenyl)-6-methylsulfonyl-1H-benzimidazole
CID 62068547

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one (CID 114204896) is 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is O=c1[nH]c(-c2cc(F)cc(Br)c2)ncc1CO.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
The InChIKey is DKTMESQDDOAYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrFN2O2/c12-8-1-6(2-9(13)3-8)10-14-4-7(5-16)11(17)15-10/h1-4,16H,5H2,(H,14,15,17).
What are the key properties of 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one?
2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one has a molecular weight of 299.10 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-5-(hydroxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114204896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).