2,8-dichloro-9-cyclopentylpurine

C10H10Cl2N4 — CID 54445306

IUPAC2,8-dichloro-9-cyclopentylpurine
SMILESClc1ncc2nc(Cl)n(C3CCCC3)c2n1
InChIInChI=1S/C10H10Cl2N4/c11-9-13-5-7-8(15-9)16(10(12)14-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyWRBOUHHLUAHREC-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.25
Rot. Bonds1

About 2,8-dichloro-9-cyclopentylpurine

2,8-dichloro-9-cyclopentylpurine (PubChem CID 54445306) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 2,8-dichloro-9-cyclopentylpurine.

Molecular Properties

Compound Name2,8-dichloro-9-cyclopentylpurine
PubChem CID54445306
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name2,8-dichloro-9-cyclopentylpurine
SMILESClc1ncc2nc(Cl)n(C3CCCC3)c2n1
InChIInChI=1S/C10H10Cl2N4/c11-9-13-5-7-8(15-9)16(10(12)14-7)6-3-1-2-4-6/h5-6H,1-4H2
InChIKeyWRBOUHHLUAHREC-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,8-dichloro-9-cyclopentylpurine?
The IUPAC name of 2,8-dichloro-9-cyclopentylpurine (CID 54445306) is 2,8-dichloro-9-cyclopentylpurine.
What is the SMILES notation for 2,8-dichloro-9-cyclopentylpurine?
The canonical SMILES for 2,8-dichloro-9-cyclopentylpurine is Clc1ncc2nc(Cl)n(C3CCCC3)c2n1.
What is the InChIKey of 2,8-dichloro-9-cyclopentylpurine?
The InChIKey is WRBOUHHLUAHREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c11-9-13-5-7-8(15-9)16(10(12)14-7)6-3-1-2-4-6/h5-6H,1-4H2.
What are the key properties of 2,8-dichloro-9-cyclopentylpurine?
2,8-dichloro-9-cyclopentylpurine has a molecular weight of 257.12 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloro-9-cyclopentylpurine is sourced from PubChem (CID 54445306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).