2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol

C8H9BrN4O — CID 83844192

IUPAC2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol
SMILESNC(CO)c1cnc2ncc(Br)n2c1
InChIInChI=1S/C8H9BrN4O/c9-7-2-12-8-11-1-5(3-13(7)8)6(10)4-14/h1-3,6,14H,4,10H2
InChIKeyGSDMQMDOIYEYFJ-UHFFFAOYSA-N
MW257.09 g/mol
LogP0.48
Rot. Bonds2

About 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol

2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol (PubChem CID 83844192) has the molecular formula C8H9BrN4O and a molecular weight of 257.09 g/mol. Its IUPAC name is 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol.

Molecular Properties

Compound Name2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol
PubChem CID83844192
Molecular FormulaC8H9BrN4O
Molecular Weight257.09 g/mol
Exact Mass256.00
IUPAC Name2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol
SMILESNC(CO)c1cnc2ncc(Br)n2c1
InChIInChI=1S/C8H9BrN4O/c9-7-2-12-8-11-1-5(3-13(7)8)6(10)4-14/h1-3,6,14H,4,10H2
InChIKeyGSDMQMDOIYEYFJ-UHFFFAOYSA-N
XLogP0.48
TPSA76.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.09
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol?
The IUPAC name of 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol (CID 83844192) is 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol.
What is the SMILES notation for 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol?
The canonical SMILES for 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol is NC(CO)c1cnc2ncc(Br)n2c1.
What is the InChIKey of 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol?
The InChIKey is GSDMQMDOIYEYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4O/c9-7-2-12-8-11-1-5(3-13(7)8)6(10)4-14/h1-3,6,14H,4,10H2.
What are the key properties of 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol?
2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol has a molecular weight of 257.09 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)ethanol is sourced from PubChem (CID 83844192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).