6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine

C13H16BrN3O — CID 83170571

IUPAC6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(N)c(C3CCCOC3)nc12
InChIInChI=1S/C13H16BrN3O/c1-8-5-10(14)6-17-12(15)11(16-13(8)17)9-3-2-4-18-7-9/h5-6,9H,2-4,7,15H2,1H3
InChIKeyHRZBEMNPBNZAQK-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.88
Rot. Bonds1

About 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine

6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine (PubChem CID 83170571) has the molecular formula C13H16BrN3O and a molecular weight of 310.19 g/mol. Its IUPAC name is 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine
PubChem CID83170571
Molecular FormulaC13H16BrN3O
Molecular Weight310.19 g/mol
Exact Mass309.05
IUPAC Name6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine
SMILESCc1cc(Br)cn2c(N)c(C3CCCOC3)nc12
InChIInChI=1S/C13H16BrN3O/c1-8-5-10(14)6-17-12(15)11(16-13(8)17)9-3-2-4-18-7-9/h5-6,9H,2-4,7,15H2,1H3
InChIKeyHRZBEMNPBNZAQK-UHFFFAOYSA-N
XLogP2.88
TPSA52.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine (CID 83170571) is 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine is Cc1cc(Br)cn2c(N)c(C3CCCOC3)nc12.
What is the InChIKey of 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine?
The InChIKey is HRZBEMNPBNZAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O/c1-8-5-10(14)6-17-12(15)11(16-13(8)17)9-3-2-4-18-7-9/h5-6,9H,2-4,7,15H2,1H3.
What are the key properties of 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine?
6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine has a molecular weight of 310.19 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-methyl-2-(oxan-3-yl)imidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 83170571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).