(4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one

C11H11N5O3 — CID 73352895

IUPAC(4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
SMILESNc1ncnc2c1ncn2[C@@H]1C=C(CO)C(=O)[C@H]1O
InChIInChI=1S/C11H11N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,9,17,19H,2H2,(H2,12,13,14)/t6-,9+/m1/s1
InChIKeyJRKNAVUJDINNOX-MUWHJKNJSA-N
MW261.24 g/mol
LogP-1.19
Rot. Bonds2

About (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one

(4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one (PubChem CID 73352895) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name(4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
PubChem CID73352895
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC Name(4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one
SMILESNc1ncnc2c1ncn2[C@@H]1C=C(CO)C(=O)[C@H]1O
InChIInChI=1S/C11H11N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,9,17,19H,2H2,(H2,12,13,14)/t6-,9+/m1/s1
InChIKeyJRKNAVUJDINNOX-MUWHJKNJSA-N
XLogP-1.19
TPSA127.15 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)cyclopent-3-ene-1,2-diol
CID 59963007
(1S,2R,5S)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-4-iodocyclopent-3-ene-1,2-diol
CID 53318848
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
cis-(2S,3R)-3-(6-aminopurin-9-yl)-2-hydroxy-5-(hydroxymethyl)cyclopentan-1-one
CID 11987727
(2R,3R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2,3-dihydrofuran-3-ol
CID 11492528
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethenylcyclopent-3-ene-1,2-diol
CID 512658
4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopentene-1,3-diol
CID 162845253
(1S,2S,3R,4R)-3-(6-aminopurin-9-yl)-6-(hydroxymethyl)bicyclo[2.2.1]hept-5-en-2-ol
CID 24786947
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolan-3-ol
CID 22844868
[6-(6-aminopurin-9-yl)-2,2-dimethyl-6,6a-dihydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]methanol
CID 13118249
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 23279550
2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 191

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one?
The IUPAC name of (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one (CID 73352895) is (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one.
What is the SMILES notation for (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one?
The canonical SMILES for (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one is Nc1ncnc2c1ncn2[C@@H]1C=C(CO)C(=O)[C@H]1O.
What is the InChIKey of (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one?
The InChIKey is JRKNAVUJDINNOX-MUWHJKNJSA-N. The full InChI is InChI=1S/C11H11N5O3/c12-10-7-11(14-3-13-10)16(4-15-7)6-1-5(2-17)8(18)9(6)19/h1,3-4,6,9,17,19H,2H2,(H2,12,13,14)/t6-,9+/m1/s1.
What are the key properties of (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one?
(4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one has a molecular weight of 261.24 g/mol, XLogP of -1.19, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-4-(6-aminopurin-9-yl)-5-hydroxy-2-(hydroxymethyl)cyclopent-2-en-1-one is sourced from PubChem (CID 73352895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).