5-(4-bromophenyl)-1-methylpyrimidin-2-one

C11H9BrN2O — CID 171383955

IUPAC5-(4-bromophenyl)-1-methylpyrimidin-2-one
SMILESCn1cc(-c2ccc(Br)cc2)cnc1=O
InChIInChI=1S/C11H9BrN2O/c1-14-7-9(6-13-11(14)15)8-2-4-10(12)5-3-8/h2-7H,1H3
InChIKeyVDHZPPLPXHTASP-UHFFFAOYSA-N
MW265.11 g/mol
LogP2.21
Rot. Bonds1

About 5-(4-bromophenyl)-1-methylpyrimidin-2-one

5-(4-bromophenyl)-1-methylpyrimidin-2-one (PubChem CID 171383955) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-(4-bromophenyl)-1-methylpyrimidin-2-one.

Molecular Properties

Compound Name5-(4-bromophenyl)-1-methylpyrimidin-2-one
PubChem CID171383955
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-(4-bromophenyl)-1-methylpyrimidin-2-one
SMILESCn1cc(-c2ccc(Br)cc2)cnc1=O
InChIInChI=1S/C11H9BrN2O/c1-14-7-9(6-13-11(14)15)8-2-4-10(12)5-3-8/h2-7H,1H3
InChIKeyVDHZPPLPXHTASP-UHFFFAOYSA-N
XLogP2.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-1-methylpyrimidin-2-one?
The IUPAC name of 5-(4-bromophenyl)-1-methylpyrimidin-2-one (CID 171383955) is 5-(4-bromophenyl)-1-methylpyrimidin-2-one.
What is the SMILES notation for 5-(4-bromophenyl)-1-methylpyrimidin-2-one?
The canonical SMILES for 5-(4-bromophenyl)-1-methylpyrimidin-2-one is Cn1cc(-c2ccc(Br)cc2)cnc1=O.
What is the InChIKey of 5-(4-bromophenyl)-1-methylpyrimidin-2-one?
The InChIKey is VDHZPPLPXHTASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-14-7-9(6-13-11(14)15)8-2-4-10(12)5-3-8/h2-7H,1H3.
What are the key properties of 5-(4-bromophenyl)-1-methylpyrimidin-2-one?
5-(4-bromophenyl)-1-methylpyrimidin-2-one has a molecular weight of 265.11 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-1-methylpyrimidin-2-one is sourced from PubChem (CID 171383955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).