8-bromo-9-cyclobutylpurin-6-amine

C9H10BrN5 — CID 44572409

IUPAC8-bromo-9-cyclobutylpurin-6-amine
SMILESNc1ncnc2c1nc(Br)n2C1CCC1
InChIInChI=1S/C9H10BrN5/c10-9-14-6-7(11)12-4-13-8(6)15(9)5-2-1-3-5/h4-5H,1-3H2,(H2,11,12,13)
InChIKeyODVHXPRTEZXIFW-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.90
Rot. Bonds1

About 8-bromo-9-cyclobutylpurin-6-amine

8-bromo-9-cyclobutylpurin-6-amine (PubChem CID 44572409) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 8-bromo-9-cyclobutylpurin-6-amine.

Molecular Properties

Compound Name8-bromo-9-cyclobutylpurin-6-amine
PubChem CID44572409
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name8-bromo-9-cyclobutylpurin-6-amine
SMILESNc1ncnc2c1nc(Br)n2C1CCC1
InChIInChI=1S/C9H10BrN5/c10-9-14-6-7(11)12-4-13-8(6)15(9)5-2-1-3-5/h4-5H,1-3H2,(H2,11,12,13)
InChIKeyODVHXPRTEZXIFW-UHFFFAOYSA-N
XLogP1.90
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-cyclobutylpurin-6-amine?
The IUPAC name of 8-bromo-9-cyclobutylpurin-6-amine (CID 44572409) is 8-bromo-9-cyclobutylpurin-6-amine.
What is the SMILES notation for 8-bromo-9-cyclobutylpurin-6-amine?
The canonical SMILES for 8-bromo-9-cyclobutylpurin-6-amine is Nc1ncnc2c1nc(Br)n2C1CCC1.
What is the InChIKey of 8-bromo-9-cyclobutylpurin-6-amine?
The InChIKey is ODVHXPRTEZXIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c10-9-14-6-7(11)12-4-13-8(6)15(9)5-2-1-3-5/h4-5H,1-3H2,(H2,11,12,13).
What are the key properties of 8-bromo-9-cyclobutylpurin-6-amine?
8-bromo-9-cyclobutylpurin-6-amine has a molecular weight of 268.12 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-cyclobutylpurin-6-amine is sourced from PubChem (CID 44572409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).