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

C12H17N5O2 — CID 501518

IUPAC(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h4-7,9-10,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1
InChIKeyHXFJNVBAELYAOB-WDQPUEAGSA-N
MW263.30 g/mol
LogP0.10
Rot. Bonds2

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

(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol (PubChem CID 501518) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol
PubChem CID501518
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol
SMILESCC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O
InChIInChI=1S/C12H17N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h4-7,9-10,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1
InChIKeyHXFJNVBAELYAOB-WDQPUEAGSA-N
XLogP0.10
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.10
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-ethylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol (CID 501518) is (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol is CC[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-ethylcyclopentane-1,2-diol?
The InChIKey is HXFJNVBAELYAOB-WDQPUEAGSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-2-6-3-7(10(19)9(6)18)17-5-16-8-11(13)14-4-15-12(8)17/h4-7,9-10,18-19H,2-3H2,1H3,(H2,13,14,15)/t6-,7+,9+,10-/m0/s1.
What are the key properties of (1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol?
(1R,2S,3R,5S)-3-(6-aminopurin-9-yl)-5-ethylcyclopentane-1,2-diol has a molecular weight of 263.30 g/mol, XLogP of 0.10, 2 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-ethylcyclopentane-1,2-diol is sourced from PubChem (CID 501518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).