9-cyclopentylpurin-6-amine;methanesulfonic acid

C11H17N5O3S — CID 6604076

IUPAC9-cyclopentylpurin-6-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C10H13N5.CH4O3S/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7;1-5(2,3)4/h5-7H,1-4H2,(H2,11,12,13);1H3,(H,2,3,4)
InChIKeyAJMDRSJHCYQPQI-UHFFFAOYSA-N
MW299.36 g/mol
LogP1.03
Rot. Bonds1

About 9-cyclopentylpurin-6-amine;methanesulfonic acid

9-cyclopentylpurin-6-amine;methanesulfonic acid (PubChem CID 6604076) has the molecular formula C11H17N5O3S and a molecular weight of 299.36 g/mol. Its IUPAC name is 9-cyclopentylpurin-6-amine;methanesulfonic acid.

Molecular Properties

Compound Name9-cyclopentylpurin-6-amine;methanesulfonic acid
PubChem CID6604076
Molecular FormulaC11H17N5O3S
Molecular Weight299.36 g/mol
Exact Mass299.11
IUPAC Name9-cyclopentylpurin-6-amine;methanesulfonic acid
SMILESCS(=O)(=O)O.Nc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C10H13N5.CH4O3S/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7;1-5(2,3)4/h5-7H,1-4H2,(H2,11,12,13);1H3,(H,2,3,4)
InChIKeyAJMDRSJHCYQPQI-UHFFFAOYSA-N
XLogP1.03
TPSA123.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentylpurin-6-amine;methanesulfonic acid?
The IUPAC name of 9-cyclopentylpurin-6-amine;methanesulfonic acid (CID 6604076) is 9-cyclopentylpurin-6-amine;methanesulfonic acid.
What is the SMILES notation for 9-cyclopentylpurin-6-amine;methanesulfonic acid?
The canonical SMILES for 9-cyclopentylpurin-6-amine;methanesulfonic acid is CS(=O)(=O)O.Nc1ncnc2c1ncn2C1CCCC1.
What is the InChIKey of 9-cyclopentylpurin-6-amine;methanesulfonic acid?
The InChIKey is AJMDRSJHCYQPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.CH4O3S/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7;1-5(2,3)4/h5-7H,1-4H2,(H2,11,12,13);1H3,(H,2,3,4).
What are the key properties of 9-cyclopentylpurin-6-amine;methanesulfonic acid?
9-cyclopentylpurin-6-amine;methanesulfonic acid has a molecular weight of 299.36 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentylpurin-6-amine;methanesulfonic acid is sourced from PubChem (CID 6604076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).