5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

C11H9BrN2O2 — CID 79438852

IUPAC5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C11H9BrN2O2/c1-6-13-10(15)9(11(16)14-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyWUOQUSPLDUKWDM-UHFFFAOYSA-N
MW281.11 g/mol
LogP2.21
Rot. Bonds1

About 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one

5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (PubChem CID 79438852) has the molecular formula C11H9BrN2O2 and a molecular weight of 281.11 g/mol. Its IUPAC name is 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
PubChem CID79438852
Molecular FormulaC11H9BrN2O2
Molecular Weight281.11 g/mol
Exact Mass279.98
IUPAC Name5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1
InChIInChI=1S/C11H9BrN2O2/c1-6-13-10(15)9(11(16)14-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,14,15,16)
InChIKeyWUOQUSPLDUKWDM-UHFFFAOYSA-N
XLogP2.21
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one (CID 79438852) is 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is Cc1nc(O)c(-c2ccccc2Br)c(=O)[nH]1.
What is the InChIKey of 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
The InChIKey is WUOQUSPLDUKWDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O2/c1-6-13-10(15)9(11(16)14-6)7-4-2-3-5-8(7)12/h2-5H,1H3,(H2,13,14,15,16).
What are the key properties of 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one?
5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one has a molecular weight of 281.11 g/mol, XLogP of 2.21, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromophenyl)-4-hydroxy-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 79438852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).