(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride

C10H14ClN5O2 — CID 67400783

IUPAC(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
SMILESCl.Nc1ncnc2c1ncn2[C@H]1CC[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13N5O2.ClH/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17;/h3-6,8,16-17H,1-2H2,(H2,11,12,13);1H/t5-,6+,8-;/m0./s1
InChIKeyXZNPFBKVRLWEEG-CLFDHOPQSA-N
MW271.71 g/mol
LogP-0.11
Rot. Bonds1

About (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride

(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride (PubChem CID 67400783) has the molecular formula C10H14ClN5O2 and a molecular weight of 271.71 g/mol. Its IUPAC name is (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride.

Molecular Properties

Compound Name(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
PubChem CID67400783
Molecular FormulaC10H14ClN5O2
Molecular Weight271.71 g/mol
Exact Mass271.08
IUPAC Name(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
SMILESCl.Nc1ncnc2c1ncn2[C@H]1CC[C@@H](O)[C@H]1O
InChIInChI=1S/C10H13N5O2.ClH/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17;/h3-6,8,16-17H,1-2H2,(H2,11,12,13);1H/t5-,6+,8-;/m0./s1
InChIKeyXZNPFBKVRLWEEG-CLFDHOPQSA-N
XLogP-0.11
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
9-[(1R,2S,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]purin-6-amine
CID 10584868
3-(6-aminopurin-9-yl)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-ol;dihydrochloride
CID 23209333
(1R,2S,3R,4S)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxamide
CID 57098352
(1S,2R,3S,4R)-4-(6-aminopurin-9-yl)-2,3-dihydroxycyclopentane-1-carboxylic acid
CID 23241675
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
4-amino-N-[(1R,2R,3S)-3-(6-aminopurin-9-yl)-2-hydroxycyclopentyl]-N-methylbutanamide
CID 110144786
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
(1R,2S,3R,5R)-3-(6-aminopurin-9-yl)-5-[(E)-2-fluoroethenyl]cyclopentane-1,2-diol
CID 10660300
(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxane-3,4-diol
CID 10660443

Frequently Asked Questions

What is the IUPAC name of (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride?
The IUPAC name of (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride (CID 67400783) is (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride.
What is the SMILES notation for (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride?
The canonical SMILES for (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride is Cl.Nc1ncnc2c1ncn2[C@H]1CC[C@@H](O)[C@H]1O.
What is the InChIKey of (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride?
The InChIKey is XZNPFBKVRLWEEG-CLFDHOPQSA-N. The full InChI is InChI=1S/C10H13N5O2.ClH/c11-9-7-10(13-3-12-9)15(4-14-7)5-1-2-6(16)8(5)17;/h3-6,8,16-17H,1-2H2,(H2,11,12,13);1H/t5-,6+,8-;/m0./s1.
What are the key properties of (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride?
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride has a molecular weight of 271.71 g/mol, XLogP of -0.11, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride is sourced from PubChem (CID 67400783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).