5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol

C10H13N5O2S — CID 23358719

IUPAC5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
SMILESNc1ncnc2c1ncn2C1CC(O)C(CO)S1
InChIInChI=1S/C10H13N5O2S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
InChIKeyKSPWPIFRZGARDG-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.23
Rot. Bonds2

About 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol

5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol (PubChem CID 23358719) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol.

Molecular Properties

Compound Name5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
PubChem CID23358719
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC Name5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
SMILESNc1ncnc2c1ncn2C1CC(O)C(CO)S1
InChIInChI=1S/C10H13N5O2S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
InChIKeyKSPWPIFRZGARDG-UHFFFAOYSA-N
XLogP-0.23
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolan-3-ol
CID 22844868
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
(3S,5R,7S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 173496028
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477
2-amino-9-[4-hydroxy-5-(hydroxymethyl)thiolan-2-yl]-1H-purin-6-one
CID 135841589
[4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 10105922
[(1R,2R,4S,5S)-4-(6-aminopurin-9-yl)-2-bicyclo[3.1.0]hexanyl]methanol
CID 101208456
(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
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
(2S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 163837057
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol?
The IUPAC name of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol (CID 23358719) is 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol.
What is the SMILES notation for 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol?
The canonical SMILES for 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol is Nc1ncnc2c1ncn2C1CC(O)C(CO)S1.
What is the InChIKey of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol?
The InChIKey is KSPWPIFRZGARDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13).
What are the key properties of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol?
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol has a molecular weight of 267.31 g/mol, XLogP of -0.23, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol is sourced from PubChem (CID 23358719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).