6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one

C6H4BrN3O — CID 15164391

IUPAC6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1c(Br)cnc2[nH]ccn12
InChIInChI=1S/C6H4BrN3O/c7-4-3-9-6-8-1-2-10(6)5(4)11/h1-3H,(H,8,9)
InChIKeyURUOAWXLSHOGHW-UHFFFAOYSA-N
MW214.02 g/mol
LogP0.79
Rot. Bonds

About 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one

6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 15164391) has the molecular formula C6H4BrN3O and a molecular weight of 214.02 g/mol. Its IUPAC name is 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID15164391
Molecular FormulaC6H4BrN3O
Molecular Weight214.02 g/mol
Exact Mass212.95
IUPAC Name6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESO=c1c(Br)cnc2[nH]ccn12
InChIInChI=1S/C6H4BrN3O/c7-4-3-9-6-8-1-2-10(6)5(4)11/h1-3H,(H,8,9)
InChIKeyURUOAWXLSHOGHW-UHFFFAOYSA-N
XLogP0.79
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.02
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one (CID 15164391) is 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one is O=c1c(Br)cnc2[nH]ccn12.
What is the InChIKey of 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is URUOAWXLSHOGHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O/c7-4-3-9-6-8-1-2-10(6)5(4)11/h1-3H,(H,8,9).
What are the key properties of 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one?
6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 214.02 g/mol, XLogP of 0.79, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 15164391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).