4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol

C11H13N5O3 — CID 162845253

IUPAC4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol
SMILESNc1ncnc2c1ncn2C1CC(O)=C(CO)C1O
InChIInChI=1S/C11H13N5O3/c12-10-8-11(14-3-13-10)16(4-15-8)6-1-7(18)5(2-17)9(6)19/h3-4,6,9,17-19H,1-2H2,(H2,12,13,14)
InChIKeyOLQGNBWDUALSOQ-UHFFFAOYSA-N
MW263.26 g/mol
LogP-0.48
Rot. Bonds2

About 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol

4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol (PubChem CID 162845253) has the molecular formula C11H13N5O3 and a molecular weight of 263.26 g/mol. Its IUPAC name is 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol.

Molecular Properties

Compound Name4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol
PubChem CID162845253
Molecular FormulaC11H13N5O3
Molecular Weight263.26 g/mol
Exact Mass263.10
IUPAC Name4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol
SMILESNc1ncnc2c1ncn2C1CC(O)=C(CO)C1O
InChIInChI=1S/C11H13N5O3/c12-10-8-11(14-3-13-10)16(4-15-8)6-1-7(18)5(2-17)9(6)19/h3-4,6,9,17-19H,1-2H2,(H2,12,13,14)
InChIKeyOLQGNBWDUALSOQ-UHFFFAOYSA-N
XLogP-0.48
TPSA130.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 5-0.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol with MolForge

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Related Compounds

(1S,2R,5S)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-4-iodocyclopent-3-ene-1,2-diol
CID 53318848
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
[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
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
2-[(1R,2S)-2-(6-aminopurin-9-yl)cyclopentyl]ethanol
CID 10681944
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
(2R,3R,4R)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 11425245
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
(5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 59963007

Frequently Asked Questions

What is the IUPAC name of 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol?
The IUPAC name of 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol (CID 162845253) is 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol.
What is the SMILES notation for 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol?
The canonical SMILES for 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol is Nc1ncnc2c1ncn2C1CC(O)=C(CO)C1O.
What is the InChIKey of 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol?
The InChIKey is OLQGNBWDUALSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O3/c12-10-8-11(14-3-13-10)16(4-15-8)6-1-7(18)5(2-17)9(6)19/h3-4,6,9,17-19H,1-2H2,(H2,12,13,14).
What are the key properties of 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol?
4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol has a molecular weight of 263.26 g/mol, XLogP of -0.48, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol is sourced from PubChem (CID 162845253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).