(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol

C11H13N5O2 — CID 506144

IUPAC(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESNc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)C1
InChIInChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h1,4-5,7-8,17-18H,2-3H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKeyFUXZCHFPDWBSQX-SFYZADRCSA-N
MW247.26 g/mol
LogP-0.37
Rot. Bonds2

About (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol

(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol (PubChem CID 506144) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
PubChem CID506144
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
SMILESNc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)C1
InChIInChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h1,4-5,7-8,17-18H,2-3H2,(H2,12,13,14)/t7-,8+/m1/s1
InChIKeyFUXZCHFPDWBSQX-SFYZADRCSA-N
XLogP-0.37
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2S,3R,4R)-3-(6-aminopurin-9-yl)-6-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 24786947
[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
CID 15077057
(5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 59963007
(2R,3R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 11492528
[(1S,2R,4S,5R)-4-(6-aminopurin-9-yl)-3-oxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10634219
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
[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
4-(aminomethyl)-2-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 144745895
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolan-3-ol
CID 22844868

Frequently Asked Questions

What is the IUPAC name of (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The IUPAC name of (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol (CID 506144) is (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol is Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)C1.
What is the InChIKey of (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol?
The InChIKey is FUXZCHFPDWBSQX-SFYZADRCSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-10-9-11(14-4-13-10)16(5-15-9)7-1-6(3-17)8(18)2-7/h1,4-5,7-8,17-18H,2-3H2,(H2,12,13,14)/t7-,8+/m1/s1.
What are the key properties of (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol?
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol has a molecular weight of 247.26 g/mol, XLogP of -0.37, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 506144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).