2-amino-9-cyclopentyl-3H-purine-6-thione

C10H13N5S — CID 3909334

IUPAC2-amino-9-cyclopentyl-3H-purine-6-thione
SMILESNc1nc(=S)c2ncn(C3CCCC3)c2[nH]1
InChIInChI=1S/C10H13N5S/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)
InChIKeyLZENWTZJIKRKMS-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.19
Rot. Bonds1

About 2-amino-9-cyclopentyl-3H-purine-6-thione

2-amino-9-cyclopentyl-3H-purine-6-thione (PubChem CID 3909334) has the molecular formula C10H13N5S and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-amino-9-cyclopentyl-3H-purine-6-thione.

Molecular Properties

Compound Name2-amino-9-cyclopentyl-3H-purine-6-thione
PubChem CID3909334
Molecular FormulaC10H13N5S
Molecular Weight235.32 g/mol
Exact Mass235.09
IUPAC Name2-amino-9-cyclopentyl-3H-purine-6-thione
SMILESNc1nc(=S)c2ncn(C3CCCC3)c2[nH]1
InChIInChI=1S/C10H13N5S/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16)
InChIKeyLZENWTZJIKRKMS-UHFFFAOYSA-N
XLogP2.19
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-9-cyclopentyl-3H-purine-6-thione?
The IUPAC name of 2-amino-9-cyclopentyl-3H-purine-6-thione (CID 3909334) is 2-amino-9-cyclopentyl-3H-purine-6-thione.
What is the SMILES notation for 2-amino-9-cyclopentyl-3H-purine-6-thione?
The canonical SMILES for 2-amino-9-cyclopentyl-3H-purine-6-thione is Nc1nc(=S)c2ncn(C3CCCC3)c2[nH]1.
What is the InChIKey of 2-amino-9-cyclopentyl-3H-purine-6-thione?
The InChIKey is LZENWTZJIKRKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5S/c11-10-13-8-7(9(16)14-10)12-5-15(8)6-3-1-2-4-6/h5-6H,1-4H2,(H3,11,13,14,16).
What are the key properties of 2-amino-9-cyclopentyl-3H-purine-6-thione?
2-amino-9-cyclopentyl-3H-purine-6-thione has a molecular weight of 235.32 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-9-cyclopentyl-3H-purine-6-thione is sourced from PubChem (CID 3909334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).