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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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).