3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine

C12H16BrN5O — CID 21070909

IUPAC3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cnc2c(NCCN3CCOCC3)nccn12
InChIInChI=1S/C12H16BrN5O/c13-10-9-16-12-11(15-2-4-18(10)12)14-1-3-17-5-7-19-8-6-17/h2,4,9H,1,3,5-8H2,(H,14,15)
InChIKeyIAVJXCJDOQMKLR-UHFFFAOYSA-N
MW326.20 g/mol
LogP1.24
Rot. Bonds4

About 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine

3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 21070909) has the molecular formula C12H16BrN5O and a molecular weight of 326.20 g/mol. Its IUPAC name is 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID21070909
Molecular FormulaC12H16BrN5O
Molecular Weight326.20 g/mol
Exact Mass325.05
IUPAC Name3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine
SMILESBrc1cnc2c(NCCN3CCOCC3)nccn12
InChIInChI=1S/C12H16BrN5O/c13-10-9-16-12-11(15-2-4-18(10)12)14-1-3-17-5-7-19-8-6-17/h2,4,9H,1,3,5-8H2,(H,14,15)
InChIKeyIAVJXCJDOQMKLR-UHFFFAOYSA-N
XLogP1.24
TPSA54.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.20
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

8-(1-Piperazinyl)imidazo(1,2-a)pyrazine
CID 131268
6-Bromo-8-(ethylamino)imidazo(1,2-a)pyrazine
CID 3088363
5-Bromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazine
CID 10379016
6-Bromo-8-(piperazin-1-yl)imidazo[1,2-a]pyrazine
CID 46228424
3,5-Dibromo-8-piperazin-1-yl-imidazo[1,2-a]pyrazine
CID 10316512
4-(6-Bromoimidazo[1,2-a]pyrazin-8-yl)morpholine
CID 10039445
3-Bromo-N-ethylimidazo[1,2-a]pyrazin-8-amine
CID 10399418
8-Morpholinoimidazo[1,2-a]pyrazine
CID 11820232
5-Piperazin-1-ylimidazo[1,2-a]pyrazine
CID 12841606
1H-Imidazo(4,5-b)pyrazine, 2-(morpholinomethyl)-
CID 3043537
2-(4-Imidazo[1,2-a]pyrazin-8-ylpiperazin-1-yl)ethanol
CID 49786220
2-[4-(6-bromoimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-N,N-dimethylethanamine
CID 79954324

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine (CID 21070909) is 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine is Brc1cnc2c(NCCN3CCOCC3)nccn12.
What is the InChIKey of 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is IAVJXCJDOQMKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN5O/c13-10-9-16-12-11(15-2-4-18(10)12)14-1-3-17-5-7-19-8-6-17/h2,4,9H,1,3,5-8H2,(H,14,15).
What are the key properties of 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine?
3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 326.20 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(2-morpholin-4-ylethyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 21070909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).