(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol

C11H15N5O2 — CID 501517

IUPAC(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol
SMILESC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
InChIKeyWWXGAYAYPQEAGA-LWIVVEGESA-N
MW249.27 g/mol
LogP-0.29
Rot. Bonds1

About (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol

(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol (PubChem CID 501517) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol
PubChem CID501517
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC Name(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol
SMILESC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1
InChIKeyWWXGAYAYPQEAGA-LWIVVEGESA-N
XLogP-0.29
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol (CID 501517) is (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol is C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O.
What is the InChIKey of (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol?
The InChIKey is WWXGAYAYPQEAGA-LWIVVEGESA-N. The full InChI is InChI=1S/C11H15N5O2/c1-5-2-6(9(18)8(5)17)16-4-15-7-10(12)13-3-14-11(7)16/h3-6,8-9,17-18H,2H2,1H3,(H2,12,13,14)/t5-,6+,8+,9-/m0/s1.
What are the key properties of (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol?
(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol has a molecular weight of 249.27 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-methylcyclopentane-1,2-diol is sourced from PubChem (CID 501517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).