2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione

C11H15N5O2S — CID 57206664

IUPAC2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione
SMILESNc1nc(=S)c2[nH]c([C@@H]3C[C@H](CO)[C@@H](O)C3)nc2[nH]1
InChIInChI=1S/C11H15N5O2S/c12-11-15-9-7(10(19)16-11)13-8(14-9)4-1-5(3-17)6(18)2-4/h4-6,17-18H,1-3H2,(H4,12,13,14,15,16,19)/t4-,5-,6+/m1/s1
InChIKeyLWRCWWZCKGZWIV-PBXRRBTRSA-N
MW281.34 g/mol
LogP0.44
Rot. Bonds2

About 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione

2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione (PubChem CID 57206664) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione.

Molecular Properties

Compound Name2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione
PubChem CID57206664
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione
SMILESNc1nc(=S)c2[nH]c([C@@H]3C[C@H](CO)[C@@H](O)C3)nc2[nH]1
InChIInChI=1S/C11H15N5O2S/c12-11-15-9-7(10(19)16-11)13-8(14-9)4-1-5(3-17)6(18)2-4/h4-6,17-18H,1-3H2,(H4,12,13,14,15,16,19)/t4-,5-,6+/m1/s1
InChIKeyLWRCWWZCKGZWIV-PBXRRBTRSA-N
XLogP0.44
TPSA123.84 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.44
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione?
The IUPAC name of 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione (CID 57206664) is 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione.
What is the SMILES notation for 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione?
The canonical SMILES for 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione is Nc1nc(=S)c2[nH]c([C@@H]3C[C@H](CO)[C@@H](O)C3)nc2[nH]1.
What is the InChIKey of 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione?
The InChIKey is LWRCWWZCKGZWIV-PBXRRBTRSA-N. The full InChI is InChI=1S/C11H15N5O2S/c12-11-15-9-7(10(19)16-11)13-8(14-9)4-1-5(3-17)6(18)2-4/h4-6,17-18H,1-3H2,(H4,12,13,14,15,16,19)/t4-,5-,6+/m1/s1.
What are the key properties of 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione?
2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione has a molecular weight of 281.34 g/mol, XLogP of 0.44, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-[(1R,3S,4R)-3-hydroxy-4-(hydroxymethyl)cyclopentyl]-3,7-dihydropurine-6-thione is sourced from PubChem (CID 57206664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).