5-amino-1-(4-bromophenyl)pyrimidin-4-one

C10H8BrN3O — CID 115114523

IUPAC5-amino-1-(4-bromophenyl)pyrimidin-4-one
SMILESNc1cn(-c2ccc(Br)cc2)cnc1=O
InChIInChI=1S/C10H8BrN3O/c11-7-1-3-8(4-2-7)14-5-9(12)10(15)13-6-14/h1-6H,12H2
InChIKeyYDCPJOQGZQZIQM-UHFFFAOYSA-N
MW266.10 g/mol
LogP1.58
Rot. Bonds1

About 5-amino-1-(4-bromophenyl)pyrimidin-4-one

5-amino-1-(4-bromophenyl)pyrimidin-4-one (PubChem CID 115114523) has the molecular formula C10H8BrN3O and a molecular weight of 266.10 g/mol. Its IUPAC name is 5-amino-1-(4-bromophenyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-1-(4-bromophenyl)pyrimidin-4-one
PubChem CID115114523
Molecular FormulaC10H8BrN3O
Molecular Weight266.10 g/mol
Exact Mass264.99
IUPAC Name5-amino-1-(4-bromophenyl)pyrimidin-4-one
SMILESNc1cn(-c2ccc(Br)cc2)cnc1=O
InChIInChI=1S/C10H8BrN3O/c11-7-1-3-8(4-2-7)14-5-9(12)10(15)13-6-14/h1-6H,12H2
InChIKeyYDCPJOQGZQZIQM-UHFFFAOYSA-N
XLogP1.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.10
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(4-bromophenyl)pyrimidin-4-one?
The IUPAC name of 5-amino-1-(4-bromophenyl)pyrimidin-4-one (CID 115114523) is 5-amino-1-(4-bromophenyl)pyrimidin-4-one.
What is the SMILES notation for 5-amino-1-(4-bromophenyl)pyrimidin-4-one?
The canonical SMILES for 5-amino-1-(4-bromophenyl)pyrimidin-4-one is Nc1cn(-c2ccc(Br)cc2)cnc1=O.
What is the InChIKey of 5-amino-1-(4-bromophenyl)pyrimidin-4-one?
The InChIKey is YDCPJOQGZQZIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN3O/c11-7-1-3-8(4-2-7)14-5-9(12)10(15)13-6-14/h1-6H,12H2.
What are the key properties of 5-amino-1-(4-bromophenyl)pyrimidin-4-one?
5-amino-1-(4-bromophenyl)pyrimidin-4-one has a molecular weight of 266.10 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(4-bromophenyl)pyrimidin-4-one is sourced from PubChem (CID 115114523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).