6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione

C10H14N6S — CID 5386112

IUPAC6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione
SMILESNc1nc(N2CCCCC2)nc2[nH]c(=S)[nH]c12
InChIInChI=1S/C10H14N6S/c11-7-6-8(15-10(17)12-6)14-9(13-7)16-4-2-1-3-5-16/h1-5H2,(H4,11,12,13,14,15,17)
InChIKeyYCVIIXWMEWGUNE-UHFFFAOYSA-N
MW250.33 g/mol
LogP1.59
Rot. Bonds1

About 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione

6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione (PubChem CID 5386112) has the molecular formula C10H14N6S and a molecular weight of 250.33 g/mol. Its IUPAC name is 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione.

Molecular Properties

Compound Name6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione
PubChem CID5386112
Molecular FormulaC10H14N6S
Molecular Weight250.33 g/mol
Exact Mass250.10
IUPAC Name6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione
SMILESNc1nc(N2CCCCC2)nc2[nH]c(=S)[nH]c12
InChIInChI=1S/C10H14N6S/c11-7-6-8(15-10(17)12-6)14-9(13-7)16-4-2-1-3-5-16/h1-5H2,(H4,11,12,13,14,15,17)
InChIKeyYCVIIXWMEWGUNE-UHFFFAOYSA-N
XLogP1.59
TPSA86.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.33
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione?
The IUPAC name of 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione (CID 5386112) is 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione.
What is the SMILES notation for 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione?
The canonical SMILES for 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione is Nc1nc(N2CCCCC2)nc2[nH]c(=S)[nH]c12.
What is the InChIKey of 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione?
The InChIKey is YCVIIXWMEWGUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6S/c11-7-6-8(15-10(17)12-6)14-9(13-7)16-4-2-1-3-5-16/h1-5H2,(H4,11,12,13,14,15,17).
What are the key properties of 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione?
6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione has a molecular weight of 250.33 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-piperidin-1-yl-7,9-dihydropurine-8-thione is sourced from PubChem (CID 5386112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).