5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

C11H9BrN2O2 — CID 10956914

IUPAC5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Cc1cccc(Br)c1
InChIInChI=1S/C11H9BrN2O2/c12-8-3-1-2-7(4-8)5-9-10(15)13-6-14-11(9)16/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyIVWKBCHDJDWWSL-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.83
Rot. Bonds2

About 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one

5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 10956914) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
PubChem CID10956914
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(O)c1Cc1cccc(Br)c1
InChIInChI=1S/C11H9BrN2O2/c12-8-3-1-2-7(4-8)5-9-10(15)13-6-14-11(9)16/h1-4,6H,5H2,(H2,13,14,15,16)
InChIKeyIVWKBCHDJDWWSL-UHFFFAOYSA-N
XLogP1.83
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one (CID 10956914) is 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is O=c1[nH]cnc(O)c1Cc1cccc(Br)c1.
What is the InChIKey of 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is IVWKBCHDJDWWSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c12-8-3-1-2-7(4-8)5-9-10(15)13-6-14-11(9)16/h1-4,6H,5H2,(H2,13,14,15,16).
What are the key properties of 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one?
5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 281.11 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 5-[(3-bromophenyl)methyl]-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 10956914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).