6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one

C10H12BrN3O — CID 176873500

IUPAC6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(C)c(C)n2c(=O)c1Br
InChIInChI=1S/C10H12BrN3O/c1-4-7-8(11)9(15)14-6(3)5(2)12-10(14)13-7/h4H2,1-3H3,(H,12,13)
InChIKeyYAZKDYJRUPYQGL-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.96
Rot. Bonds1

About 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one

6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 176873500) has the molecular formula C10H12BrN3O and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

Compound Name6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one
PubChem CID176873500
Molecular FormulaC10H12BrN3O
Molecular Weight270.13 g/mol
Exact Mass269.02
IUPAC Name6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one
SMILESCCc1nc2[nH]c(C)c(C)n2c(=O)c1Br
InChIInChI=1S/C10H12BrN3O/c1-4-7-8(11)9(15)14-6(3)5(2)12-10(14)13-7/h4H2,1-3H3,(H,12,13)
InChIKeyYAZKDYJRUPYQGL-UHFFFAOYSA-N
XLogP1.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one?
The IUPAC name of 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one (CID 176873500) is 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one.
What is the SMILES notation for 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one?
The canonical SMILES for 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one is CCc1nc2[nH]c(C)c(C)n2c(=O)c1Br.
What is the InChIKey of 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one?
The InChIKey is YAZKDYJRUPYQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3O/c1-4-7-8(11)9(15)14-6(3)5(2)12-10(14)13-7/h4H2,1-3H3,(H,12,13).
What are the key properties of 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one?
6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 270.13 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-7-ethyl-2,3-dimethyl-1H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 176873500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).