8-bromo-9-cyclopentylpurin-6-amine

C10H12BrN5 — CID 12016633

IUPAC8-bromo-9-cyclopentylpurin-6-amine
SMILESNc1ncnc2c1nc(Br)n2C1CCCC1
InChIInChI=1S/C10H12BrN5/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
InChIKeyUIZPGNXMMMDTHD-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.29
Rot. Bonds1

About 8-bromo-9-cyclopentylpurin-6-amine

8-bromo-9-cyclopentylpurin-6-amine (PubChem CID 12016633) has the molecular formula C10H12BrN5 and a molecular weight of 282.14 g/mol. Its IUPAC name is 8-bromo-9-cyclopentylpurin-6-amine.

Molecular Properties

Compound Name8-bromo-9-cyclopentylpurin-6-amine
PubChem CID12016633
Molecular FormulaC10H12BrN5
Molecular Weight282.14 g/mol
Exact Mass281.03
IUPAC Name8-bromo-9-cyclopentylpurin-6-amine
SMILESNc1ncnc2c1nc(Br)n2C1CCCC1
InChIInChI=1S/C10H12BrN5/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14)
InChIKeyUIZPGNXMMMDTHD-UHFFFAOYSA-N
XLogP2.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-cyclopentylpurin-6-amine?
The IUPAC name of 8-bromo-9-cyclopentylpurin-6-amine (CID 12016633) is 8-bromo-9-cyclopentylpurin-6-amine.
What is the SMILES notation for 8-bromo-9-cyclopentylpurin-6-amine?
The canonical SMILES for 8-bromo-9-cyclopentylpurin-6-amine is Nc1ncnc2c1nc(Br)n2C1CCCC1.
What is the InChIKey of 8-bromo-9-cyclopentylpurin-6-amine?
The InChIKey is UIZPGNXMMMDTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN5/c11-10-15-7-8(12)13-5-14-9(7)16(10)6-3-1-2-4-6/h5-6H,1-4H2,(H2,12,13,14).
What are the key properties of 8-bromo-9-cyclopentylpurin-6-amine?
8-bromo-9-cyclopentylpurin-6-amine has a molecular weight of 282.14 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-cyclopentylpurin-6-amine is sourced from PubChem (CID 12016633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).