5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol

C12H14FN5O3 — CID 67797697

IUPAC5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
SMILESCC(O)C1=C(F)C(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C12H14FN5O3/c1-4(19)5-6(13)8(10(21)9(5)20)18-3-17-7-11(14)15-2-16-12(7)18/h2-4,8-10,19-21H,1H3,(H2,14,15,16)
InChIKeyQFGCRRLSVANBHI-UHFFFAOYSA-N
MW295.27 g/mol
LogP-0.71
Rot. Bonds2

About 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol

5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol (PubChem CID 67797697) has the molecular formula C12H14FN5O3 and a molecular weight of 295.27 g/mol. Its IUPAC name is 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol.

Molecular Properties

Compound Name5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
PubChem CID67797697
Molecular FormulaC12H14FN5O3
Molecular Weight295.27 g/mol
Exact Mass295.11
IUPAC Name5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol
SMILESCC(O)C1=C(F)C(n2cnc3c(N)ncnc32)C(O)C1O
InChIInChI=1S/C12H14FN5O3/c1-4(19)5-6(13)8(10(21)9(5)20)18-3-17-7-11(14)15-2-16-12(7)18/h2-4,8-10,19-21H,1H3,(H2,14,15,16)
InChIKeyQFGCRRLSVANBHI-UHFFFAOYSA-N
XLogP-0.71
TPSA130.31 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 5-0.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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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
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-[(1S)-1-hydroxyethyl]oxolane-3,4-diol
CID 15612716
(2S,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-methyloxolane-3,4-diol
CID 676784
(2R,3R,4R,5R,6S)-2-(6-aminopurin-9-yl)-6-methyloxane-3,4,5-triol
CID 54068544
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-[hydroxy(methylselanyl)methyl]oxolane-3,4-diol
CID 90424594
trans-(2S,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 121320951
(1R,2R,3R,5R)-3-(6-aminopurin-9-yl)-2-fluoro-5-(hydroxymethyl)-4-methylidenecyclopentan-1-ol
CID 52920495
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethenylcyclopent-3-ene-1,2-diol
CID 512658
(2R,3R,4S,5S)-2-(6-aminopurin-9-yl)-5-(1-fluoroethylsulfanylmethyl)oxolane-3,4-diol
CID 67733104
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783
(1R,2S,3R,7R,7aR)-3-(6-aminopurin-9-yl)-2,3,5,6,7,7a-hexahydro-1H-indene-1,2,7-triol
CID 170342623
(2R,3S,4S,5E)-2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
CID 14803094

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The IUPAC name of 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol (CID 67797697) is 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol.
What is the SMILES notation for 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The canonical SMILES for 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol is CC(O)C1=C(F)C(n2cnc3c(N)ncnc32)C(O)C1O.
What is the InChIKey of 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
The InChIKey is QFGCRRLSVANBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O3/c1-4(19)5-6(13)8(10(21)9(5)20)18-3-17-7-11(14)15-2-16-12(7)18/h2-4,8-10,19-21H,1H3,(H2,14,15,16).
What are the key properties of 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol?
5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol has a molecular weight of 295.27 g/mol, XLogP of -0.71, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopurin-9-yl)-4-fluoro-3-(1-hydroxyethyl)cyclopent-3-ene-1,2-diol is sourced from PubChem (CID 67797697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).