1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine

C26H34Br2N8O2 — CID 157102374

IUPAC1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC1(C)CC(c2nc(Br)c3c(N)nccn23)CCO1.CC1(C)CC(c2nc(Br)c3c(N)nccn23)CCO1
InChIInChI=1S/2C13H17BrN4O/c2*1-13(2)7-8(3-6-19-13)12-17-10(14)9-11(15)16-4-5-18(9)12/h2*4-5,8H,3,6-7H2,1-2H3,(H2,15,16)
InChIKeyAFXHILYZEPIDKN-UHFFFAOYSA-N
MW650.42 g/mol
LogP5.49
Rot. Bonds2

About 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine

1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 157102374) has the molecular formula C26H34Br2N8O2 and a molecular weight of 650.42 g/mol. Its IUPAC name is 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID157102374
Molecular FormulaC26H34Br2N8O2
Molecular Weight650.42 g/mol
Exact Mass648.12
IUPAC Name1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC1(C)CC(c2nc(Br)c3c(N)nccn23)CCO1.CC1(C)CC(c2nc(Br)c3c(N)nccn23)CCO1
InChIInChI=1S/2C13H17BrN4O/c2*1-13(2)7-8(3-6-19-13)12-17-10(14)9-11(15)16-4-5-18(9)12/h2*4-5,8H,3,6-7H2,1-2H3,(H2,15,16)
InChIKeyAFXHILYZEPIDKN-UHFFFAOYSA-N
XLogP5.49
TPSA130.88 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.42
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

1-bromo-3-cyclopentylimidazo[1,5-a]pyrazin-8-amine
CID 71222909
trans-(1S,3R)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-methylcyclohexane-1-carboxylic acid
CID 121455273
1-bromo-3-(4-methoxycyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 71223259
trans-methyl (1R,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1-propan-2-ylcyclohexane-1-carboxylate
CID 121455768
3-(1,3,4,6,7,8,9,9a-octahydropyrido[2,1-c][1,4]oxazin-7-yl)-1-bromoimidazo[1,5-a]pyrazin-8-amine
CID 123183862
[(1S,3S)-3-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)cyclohexyl]carbamic acid
CID 71223385
(7S,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,6,7,8,9,9a-hexahydropyrido[2,1-c][1,4]oxazin-4-one
CID 90283752
6-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)spiro[2,5,6,7,8,8a-hexahydroindolizine-1,1'-cyclopropane]-3-one
CID 161414845
(7R,9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 90283466
(9aR)-7-(8-amino-1-bromoimidazo[1,5-a]pyrazin-3-yl)-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 138600859
1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate
CID 71074993
1-(2,3-dihydro-1H-inden-2-yl)-2-(2,2-dimethyloxan-4-yl)imidazole
CID 56865838

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine (CID 157102374) is 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine is CC1(C)CC(c2nc(Br)c3c(N)nccn23)CCO1.CC1(C)CC(c2nc(Br)c3c(N)nccn23)CCO1.
What is the InChIKey of 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is AFXHILYZEPIDKN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H17BrN4O/c2*1-13(2)7-8(3-6-19-13)12-17-10(14)9-11(15)16-4-5-18(9)12/h2*4-5,8H,3,6-7H2,1-2H3,(H2,15,16).
What are the key properties of 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine?
1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 650.42 g/mol, XLogP of 5.49, 2 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-(2,2-dimethyloxan-4-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 157102374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).