1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol

C12H12FN5O — CID 129285347

IUPAC1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol
SMILESC=CC1=C(F)CC(O)(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C12H12FN5O/c1-2-7-3-12(19,4-8(7)13)18-6-17-9-10(14)15-5-16-11(9)18/h2,5-6,19H,1,3-4H2,(H2,14,15,16)
InChIKeyXVANZWOCXAJWGU-UHFFFAOYSA-N
MW261.26 g/mol
LogP1.26
Rot. Bonds2

About 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol

1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol (PubChem CID 129285347) has the molecular formula C12H12FN5O and a molecular weight of 261.26 g/mol. Its IUPAC name is 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol.

Molecular Properties

Compound Name1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol
PubChem CID129285347
Molecular FormulaC12H12FN5O
Molecular Weight261.26 g/mol
Exact Mass261.10
IUPAC Name1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol
SMILESC=CC1=C(F)CC(O)(n2cnc3c(N)ncnc32)C1
InChIInChI=1S/C12H12FN5O/c1-2-7-3-12(19,4-8(7)13)18-6-17-9-10(14)15-5-16-11(9)18/h2,5-6,19H,1,3-4H2,(H2,14,15,16)
InChIKeyXVANZWOCXAJWGU-UHFFFAOYSA-N
XLogP1.26
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.26
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 140969390
1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol
CID 70384732
(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
prop-2-enyl (2R,3R)-4-(6-aminopurin-9-yl)-2,3-dihydroxybutanoate
CID 131879127
(1S,2R,5R)-5-(6-aminopurin-9-yl)-3-ethenylcyclopent-3-ene-1,2-diol
CID 512658
9-(1-oxo-3-oxa-1λ5-phosphabicyclo[2.1.0]pentan-4-yl)purin-6-amine
CID 118952562
(2R,3R)-6-(6-aminopurin-9-yl)-2,3-dimethyloct-7-ene-1,4,5-triol
CID 155409113
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-ethenyloxolane-3,4-diol
CID 10400520
(3R,4S)-5-(6-aminopurin-9-yl)-2-methylidenepentane-1,3,4-triol
CID 10706793
(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
(2S,3R,4R,5R)-2-amino-5-(5-aminopent-3-ynyl)-2-(6-aminopurin-9-yl)-3-methyloxolane-3,4-diol
CID 70367470

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol?
The IUPAC name of 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol (CID 129285347) is 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol.
What is the SMILES notation for 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol?
The canonical SMILES for 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol is C=CC1=C(F)CC(O)(n2cnc3c(N)ncnc32)C1.
What is the InChIKey of 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol?
The InChIKey is XVANZWOCXAJWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN5O/c1-2-7-3-12(19,4-8(7)13)18-6-17-9-10(14)15-5-16-11(9)18/h2,5-6,19H,1,3-4H2,(H2,14,15,16).
What are the key properties of 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol?
1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol has a molecular weight of 261.26 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol is sourced from PubChem (CID 129285347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).