9-cyclopentylpurin-6-amine

C10H13N5 — CID 12852

IUPAC9-cyclopentylpurin-6-amine
SMILESNc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyKTJWHJNBTXITCB-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.52
Rot. Bonds1

About 9-cyclopentylpurin-6-amine

9-cyclopentylpurin-6-amine (PubChem CID 12852) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 9-cyclopentylpurin-6-amine.

Molecular Properties

Compound Name9-cyclopentylpurin-6-amine
PubChem CID12852
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name9-cyclopentylpurin-6-amine
SMILESNc1ncnc2c1ncn2C1CCCC1
InChIInChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13)
InChIKeyKTJWHJNBTXITCB-UHFFFAOYSA-N
XLogP1.52
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopentylpurin-6-amine?
The IUPAC name of 9-cyclopentylpurin-6-amine (CID 12852) is 9-cyclopentylpurin-6-amine.
What is the SMILES notation for 9-cyclopentylpurin-6-amine?
The canonical SMILES for 9-cyclopentylpurin-6-amine is Nc1ncnc2c1ncn2C1CCCC1.
What is the InChIKey of 9-cyclopentylpurin-6-amine?
The InChIKey is KTJWHJNBTXITCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c11-9-8-10(13-5-12-9)15(6-14-8)7-3-1-2-4-7/h5-7H,1-4H2,(H2,11,12,13).
What are the key properties of 9-cyclopentylpurin-6-amine?
9-cyclopentylpurin-6-amine has a molecular weight of 203.25 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopentylpurin-6-amine is sourced from PubChem (CID 12852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).