8-(thiolan-2-yl)-7H-purin-6-amine

C9H11N5S — CID 114608230

IUPAC8-(thiolan-2-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C3CCCS3)[nH]c12
InChIInChI=1S/C9H11N5S/c10-7-6-9(12-4-11-7)14-8(13-6)5-2-1-3-15-5/h4-5H,1-3H2,(H3,10,11,12,13,14)
InChIKeySLGBEMDEJGNLBC-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.50
Rot. Bonds1

About 8-(thiolan-2-yl)-7H-purin-6-amine

8-(thiolan-2-yl)-7H-purin-6-amine (PubChem CID 114608230) has the molecular formula C9H11N5S and a molecular weight of 221.29 g/mol. Its IUPAC name is 8-(thiolan-2-yl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-(thiolan-2-yl)-7H-purin-6-amine
PubChem CID114608230
Molecular FormulaC9H11N5S
Molecular Weight221.29 g/mol
Exact Mass221.07
IUPAC Name8-(thiolan-2-yl)-7H-purin-6-amine
SMILESNc1ncnc2nc(C3CCCS3)[nH]c12
InChIInChI=1S/C9H11N5S/c10-7-6-9(12-4-11-7)14-8(13-6)5-2-1-3-15-5/h4-5H,1-3H2,(H3,10,11,12,13,14)
InChIKeySLGBEMDEJGNLBC-UHFFFAOYSA-N
XLogP1.50
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(thiolan-2-yl)-7H-purin-6-amine?
The IUPAC name of 8-(thiolan-2-yl)-7H-purin-6-amine (CID 114608230) is 8-(thiolan-2-yl)-7H-purin-6-amine.
What is the SMILES notation for 8-(thiolan-2-yl)-7H-purin-6-amine?
The canonical SMILES for 8-(thiolan-2-yl)-7H-purin-6-amine is Nc1ncnc2nc(C3CCCS3)[nH]c12.
What is the InChIKey of 8-(thiolan-2-yl)-7H-purin-6-amine?
The InChIKey is SLGBEMDEJGNLBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5S/c10-7-6-9(12-4-11-7)14-8(13-6)5-2-1-3-15-5/h4-5H,1-3H2,(H3,10,11,12,13,14).
What are the key properties of 8-(thiolan-2-yl)-7H-purin-6-amine?
8-(thiolan-2-yl)-7H-purin-6-amine has a molecular weight of 221.29 g/mol, XLogP of 1.50, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(thiolan-2-yl)-7H-purin-6-amine is sourced from PubChem (CID 114608230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).