6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione

C10H13N5O3S — CID 57114714

IUPAC6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
SMILESNc1ncnc2c1[nH]c(=S)n2[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C10H13N5O3S/c11-8-7-9(13-3-12-8)15(10(19)14-7)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H,14,19)(H2,11,12,13)/t4?,5-,6-/m1/s1
InChIKeyHPCFWPYIEBKPPY-YSLANXFLSA-N
MW283.31 g/mol
LogP-0.29
Rot. Bonds2

About 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione

6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione (PubChem CID 57114714) has the molecular formula C10H13N5O3S and a molecular weight of 283.31 g/mol. Its IUPAC name is 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione.

Molecular Properties

Compound Name6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
PubChem CID57114714
Molecular FormulaC10H13N5O3S
Molecular Weight283.31 g/mol
Exact Mass283.07
IUPAC Name6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
SMILESNc1ncnc2c1[nH]c(=S)n2[C@H]1CC(O)[C@@H](CO)O1
InChIInChI=1S/C10H13N5O3S/c11-8-7-9(13-3-12-8)15(10(19)14-7)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H,14,19)(H2,11,12,13)/t4?,5-,6-/m1/s1
InChIKeyHPCFWPYIEBKPPY-YSLANXFLSA-N
XLogP-0.29
TPSA122.21 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-amino-9-[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione
CID 14889121
[(2R,3R,4R,5R)-2-(6-amino-8-sulfanylidene-7H-purin-9-yl)-4-hydroxy-5-(hydroxymethyl)oxolan-3-yl] acetate
CID 56994260
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2R,3S,5S)-5-(6-amino-8-bromopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 42531062
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
[(2R,3S,5R)-5-(6-amino-8-oxo-7H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl dihydrogen phosphate
CID 11046252
(2S,3R)-5-(4-amino-5-iodopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 154810042
(2R,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 129361405
(2R,3S,5R)-5-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 14188467
(2S,3R,5S)-5-(4-aminopyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 6479816
(2R,3S,5R)-5-[6-amino-8-(2-trimethylsilylethylsulfanyl)purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 10833864

Frequently Asked Questions

What is the IUPAC name of 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione?
The IUPAC name of 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione (CID 57114714) is 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione.
What is the SMILES notation for 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione?
The canonical SMILES for 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione is Nc1ncnc2c1[nH]c(=S)n2[C@H]1CC(O)[C@@H](CO)O1.
What is the InChIKey of 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione?
The InChIKey is HPCFWPYIEBKPPY-YSLANXFLSA-N. The full InChI is InChI=1S/C10H13N5O3S/c11-8-7-9(13-3-12-8)15(10(19)14-7)6-1-4(17)5(2-16)18-6/h3-6,16-17H,1-2H2,(H,14,19)(H2,11,12,13)/t4?,5-,6-/m1/s1.
What are the key properties of 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione?
6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione has a molecular weight of 283.31 g/mol, XLogP of -0.29, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-9-[(2R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-7H-purine-8-thione is sourced from PubChem (CID 57114714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).