3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline

C14H17BrN4 — CID 63024508

IUPAC3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline
SMILESBrc1cccc(NCCN2CCn3ccnc3C2)c1
InChIInChI=1S/C14H17BrN4/c15-12-2-1-3-13(10-12)16-4-6-18-8-9-19-7-5-17-14(19)11-18/h1-3,5,7,10,16H,4,6,8-9,11H2
InChIKeyMBVZKIZAMVZLNZ-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.57
Rot. Bonds4

About 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline

3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline (PubChem CID 63024508) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline.

Molecular Properties

Compound Name3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline
PubChem CID63024508
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline
SMILESBrc1cccc(NCCN2CCn3ccnc3C2)c1
InChIInChI=1S/C14H17BrN4/c15-12-2-1-3-13(10-12)16-4-6-18-8-9-19-7-5-17-14(19)11-18/h1-3,5,7,10,16H,4,6,8-9,11H2
InChIKeyMBVZKIZAMVZLNZ-UHFFFAOYSA-N
XLogP2.57
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]-3-fluoroaniline
CID 55143465
7-[(3-bromophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 55134729
1-(3-bromophenyl)-2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethanone
CID 63026581
3-bromo-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]aniline
CID 62561539
3-bromo-N-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethyl]aniline
CID 62559315
N-tert-butyl-4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)butan-1-amine
CID 63026878
3-bromo-N-[2-(4-tert-butylpiperidin-1-yl)ethyl]aniline
CID 63502175
3-bromo-N-[2-(2,2-dimethylmorpholin-4-yl)ethyl]aniline
CID 62560814
3-bromo-N-(3-pyrrolidin-1-ylpropyl)aniline
CID 59590019
7-(4-chlorobutyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 63026954
1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4,4-dimethyl-N-propylpentan-3-amine
CID 63024440
3-bromo-N-[(1-methylimidazol-2-yl)methyl]aniline
CID 43087909

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline?
The IUPAC name of 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline (CID 63024508) is 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline.
What is the SMILES notation for 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline?
The canonical SMILES for 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline is Brc1cccc(NCCN2CCn3ccnc3C2)c1.
What is the InChIKey of 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline?
The InChIKey is MBVZKIZAMVZLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c15-12-2-1-3-13(10-12)16-4-6-18-8-9-19-7-5-17-14(19)11-18/h1-3,5,7,10,16H,4,6,8-9,11H2.
What are the key properties of 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline?
3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline has a molecular weight of 321.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)ethyl]aniline is sourced from PubChem (CID 63024508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).