2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol

C12H17N5O2 — CID 21338241

IUPAC2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
SMILESCCC1OC(n2cnc3c(N)ncnc32)C(O)C1C
InChIInChI=1S/C12H17N5O2/c1-3-7-6(2)9(18)12(19-7)17-5-16-8-10(13)14-4-15-11(8)17/h4-7,9,12,18H,3H2,1-2H3,(H2,13,14,15)
InChIKeyCFDLJQDFTRXINM-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.71
Rot. Bonds2

About 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol

2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol (PubChem CID 21338241) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
PubChem CID21338241
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
SMILESCCC1OC(n2cnc3c(N)ncnc32)C(O)C1C
InChIInChI=1S/C12H17N5O2/c1-3-7-6(2)9(18)12(19-7)17-5-16-8-10(13)14-4-15-11(8)17/h4-7,9,12,18H,3H2,1-2H3,(H2,13,14,15)
InChIKeyCFDLJQDFTRXINM-UHFFFAOYSA-N
XLogP0.71
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-2-ethyl-4-fluorooxolan-3-ol
CID 59289290
(2R,3S,5S)-2-(6-aminopurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 59737005
(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(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
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxy(113C)methyl)(2,3,4,5-13C4)oxolane-3,4-diol
CID 123223819
(2R,3R,4S,5R)-2-(6-(15N)azanylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 11129405
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;chromium
CID 87862906
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;phosphane
CID 158226828
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 18755237

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol?
The IUPAC name of 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol (CID 21338241) is 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol is CCC1OC(n2cnc3c(N)ncnc32)C(O)C1C.
What is the InChIKey of 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol?
The InChIKey is CFDLJQDFTRXINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-3-7-6(2)9(18)12(19-7)17-5-16-8-10(13)14-4-15-11(8)17/h4-7,9,12,18H,3H2,1-2H3,(H2,13,14,15).
What are the key properties of 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol?
2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol has a molecular weight of 263.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol is sourced from PubChem (CID 21338241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).