5-(4-bromophenyl)-1H-pyrimidin-6-one

C10H7BrN2O — CID 106517913

IUPAC5-(4-bromophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-12-6-13-10(9)14/h1-6H,(H,12,13,14)
InChIKeyDYYAVGASSJGVRH-UHFFFAOYSA-N
MW251.08 g/mol
LogP2.20
Rot. Bonds1

About 5-(4-bromophenyl)-1H-pyrimidin-6-one

5-(4-bromophenyl)-1H-pyrimidin-6-one (PubChem CID 106517913) has the molecular formula C10H7BrN2O and a molecular weight of 251.08 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1H-pyrimidin-6-one
PubChem CID106517913
Molecular FormulaC10H7BrN2O
Molecular Weight251.08 g/mol
Exact Mass249.97
IUPAC Name5-(4-bromophenyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cncc1-c1ccc(Br)cc1
InChIInChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-12-6-13-10(9)14/h1-6H,(H,12,13,14)
InChIKeyDYYAVGASSJGVRH-UHFFFAOYSA-N
XLogP2.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.08
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-(4-bromophenyl)-1H-pyrimidin-6-one (CID 106517913) is 5-(4-bromophenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(4-bromophenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-(4-bromophenyl)-1H-pyrimidin-6-one is O=c1[nH]cncc1-c1ccc(Br)cc1.
What is the InChIKey of 5-(4-bromophenyl)-1H-pyrimidin-6-one?
The InChIKey is DYYAVGASSJGVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2O/c11-8-3-1-7(2-4-8)9-5-12-6-13-10(9)14/h1-6H,(H,12,13,14).
What are the key properties of 5-(4-bromophenyl)-1H-pyrimidin-6-one?
5-(4-bromophenyl)-1H-pyrimidin-6-one has a molecular weight of 251.08 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 106517913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).