9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine

C13H19N5O — CID 58159383

IUPAC9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
SMILESCCC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CC
InChIInChI=1S/C13H19N5O/c1-3-8-5-10(19-9(8)4-2)18-7-17-11-12(14)15-6-16-13(11)18/h6-10H,3-5H2,1-2H3,(H2,14,15,16)/t8?,9-,10-/m1/s1
InChIKeySLGHMRLMPBLAGX-VXRWAFEHSA-N
MW261.33 g/mol
LogP2.13
Rot. Bonds3

About 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine

9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine (PubChem CID 58159383) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine.

Molecular Properties

Compound Name9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
PubChem CID58159383
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine
SMILESCCC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CC
InChIInChI=1S/C13H19N5O/c1-3-8-5-10(19-9(8)4-2)18-7-17-11-12(14)15-6-16-13(11)18/h6-10H,3-5H2,1-2H3,(H2,14,15,16)/t8?,9-,10-/m1/s1
InChIKeySLGHMRLMPBLAGX-VXRWAFEHSA-N
XLogP2.13
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)(313C)oxolan-3-ol;hydrate
CID 165412978
(2R,3S,4S,6R)-6-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 21139829
2-(6-aminopurin-9-yl)-5-ethyl-4-methyloxolan-3-ol
CID 21338241
(2R,3S,4S,5S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 143417477
(3S,5R,7S)-7-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 173496028
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
[(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-yl]oxyphosphonamidous acid
CID 22875104
(2R,3S,5R)-5-(6-aminopurin-9-yl)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]oxolan-3-ol
CID 10320127
9-[5-ethyl-4-[(2-nitrophenyl)methoxy]oxolan-2-yl]purin-6-amine
CID 76811063
9-[(2R,5R)-5-ethyl-4-[(2-nitrophenyl)methoxy]oxolan-2-yl]purin-6-amine
CID 58520501

Frequently Asked Questions

What is the IUPAC name of 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine?
The IUPAC name of 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine (CID 58159383) is 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine.
What is the SMILES notation for 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine?
The canonical SMILES for 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine is CCC1C[C@H](n2cnc3c(N)ncnc32)O[C@@H]1CC.
What is the InChIKey of 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine?
The InChIKey is SLGHMRLMPBLAGX-VXRWAFEHSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-8-5-10(19-9(8)4-2)18-7-17-11-12(14)15-6-16-13(11)18/h6-10H,3-5H2,1-2H3,(H2,14,15,16)/t8?,9-,10-/m1/s1.
What are the key properties of 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine?
9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine has a molecular weight of 261.33 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2R,5R)-4,5-diethyloxolan-2-yl]purin-6-amine is sourced from PubChem (CID 58159383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).