2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol

C12H17N5O — CID 10681944

IUPAC2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
SMILESNc1ncnc2c1ncn2[C@H]1CCC[C@@H]1CCO
InChIInChI=1S/C12H17N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(9)4-5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m1/s1
InChIKeyRAKVCENGJBJANY-BDAKNGLRSA-N
MW247.30 g/mol
LogP1.13
Rot. Bonds3

About 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol

2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol (PubChem CID 10681944) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol.

Molecular Properties

Compound Name2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
PubChem CID10681944
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
SMILESNc1ncnc2c1ncn2[C@H]1CCC[C@@H]1CCO
InChIInChI=1S/C12H17N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(9)4-5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m1/s1
InChIKeyRAKVCENGJBJANY-BDAKNGLRSA-N
XLogP1.13
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
[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
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
[(5R)-5-(6-aminopurin-9-yl)oxolan-2-yl]methanol
CID 135258304
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
[(2R,4R,5R)-4-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-2-yl]methanol
CID 101351656
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol
CID 162845253
[5-(6-aminopurin-9-yl)-3-(hydroxymethyl)oxolan-3-yl]methanol
CID 11630346
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol?
The IUPAC name of 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol (CID 10681944) is 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol.
What is the SMILES notation for 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol?
The canonical SMILES for 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol is Nc1ncnc2c1ncn2[C@H]1CCC[C@@H]1CCO.
What is the InChIKey of 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol?
The InChIKey is RAKVCENGJBJANY-BDAKNGLRSA-N. The full InChI is InChI=1S/C12H17N5O/c13-11-10-12(15-6-14-11)17(7-16-10)9-3-1-2-8(9)4-5-18/h6-9,18H,1-5H2,(H2,13,14,15)/t8-,9+/m1/s1.
What are the key properties of 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol?
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol has a molecular weight of 247.30 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol is sourced from PubChem (CID 10681944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).