2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine

C13H13BrN4O — CID 106889365

IUPAC2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
SMILESCN(C)c1ccc2nc(-c3occc3Br)c(N)n2c1
InChIInChI=1S/C13H13BrN4O/c1-17(2)8-3-4-10-16-11(13(15)18(10)7-8)12-9(14)5-6-19-12/h3-7H,15H2,1-2H3
InChIKeyJQQHCOZBJXNLRP-UHFFFAOYSA-N
MW321.18 g/mol
LogP3.01
Rot. Bonds2

About 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine

2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine (PubChem CID 106889365) has the molecular formula C13H13BrN4O and a molecular weight of 321.18 g/mol. Its IUPAC name is 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine.

Molecular Properties

Compound Name2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
PubChem CID106889365
Molecular FormulaC13H13BrN4O
Molecular Weight321.18 g/mol
Exact Mass320.03
IUPAC Name2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine
SMILESCN(C)c1ccc2nc(-c3occc3Br)c(N)n2c1
InChIInChI=1S/C13H13BrN4O/c1-17(2)8-3-4-10-16-11(13(15)18(10)7-8)12-9(14)5-6-19-12/h3-7H,15H2,1-2H3
InChIKeyJQQHCOZBJXNLRP-UHFFFAOYSA-N
XLogP3.01
TPSA59.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.18
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
The IUPAC name of 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine (CID 106889365) is 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine.
What is the SMILES notation for 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
The canonical SMILES for 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine is CN(C)c1ccc2nc(-c3occc3Br)c(N)n2c1.
What is the InChIKey of 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
The InChIKey is JQQHCOZBJXNLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O/c1-17(2)8-3-4-10-16-11(13(15)18(10)7-8)12-9(14)5-6-19-12/h3-7H,15H2,1-2H3.
What are the key properties of 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine?
2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine has a molecular weight of 321.18 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromofuran-2-yl)-6-N,6-N-dimethylimidazo[1,2-a]pyridine-3,6-diamine is sourced from PubChem (CID 106889365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).