1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol

C11H12FN5O2 — CID 70384732

IUPAC1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol
SMILESNc1ncnc2c1ncn2C1(O)C(=CF)CCC1O
InChIInChI=1S/C11H12FN5O2/c12-3-6-1-2-7(18)11(6,19)17-5-16-8-9(13)14-4-15-10(8)17/h3-5,7,18-19H,1-2H2,(H2,13,14,15)
InChIKeySAKLQUNEQNJMNG-UHFFFAOYSA-N
MW265.25 g/mol
LogP0.06
Rot. Bonds1

About 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol

1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol (PubChem CID 70384732) has the molecular formula C11H12FN5O2 and a molecular weight of 265.25 g/mol. Its IUPAC name is 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol.

Molecular Properties

Compound Name1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol
PubChem CID70384732
Molecular FormulaC11H12FN5O2
Molecular Weight265.25 g/mol
Exact Mass265.10
IUPAC Name1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol
SMILESNc1ncnc2c1ncn2C1(O)C(=CF)CCC1O
InChIInChI=1S/C11H12FN5O2/c12-3-6-1-2-7(18)11(6,19)17-5-16-8-9(13)14-4-15-10(8)17/h3-5,7,18-19H,1-2H2,(H2,13,14,15)
InChIKeySAKLQUNEQNJMNG-UHFFFAOYSA-N
XLogP0.06
TPSA110.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.25
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

1-(6-aminopurin-9-yl)cyclopentan-1-ol
CID 140969390
(2R,3R,4R)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolane-3,4-diol
CID 67235799
(2R,3R,5S)-2-(6-aminopurin-9-yl)-2-chloro-5-(hydroxymethyl)oxolan-3-ol
CID 145088486
1-(6-aminopurin-9-yl)-3-ethenyl-4-fluorocyclopent-3-en-1-ol
CID 129285347
(2R,3R,4S,5S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)-5-methyloxolane-3,4-diol
CID 67217085
(2R,4S,5R)-5-(6-aminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)-5-methyloxolan-3-ol
CID 58142645
(2R,5S,9S)-2-(6-aminopurin-9-yl)-1-oxaspiro[4.4]nonan-9-ol
CID 11737444
(2R,3S,4R,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)-2-methyloxolane-3,4-diol
CID 126731683
2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
CID 54101612
(2R,3S,4S,5E)-2-(6-aminopurin-9-yl)-5-(fluoromethylidene)oxolane-3,4-diol
CID 14803094
(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol
CID 18388896
(1R,2S,3S)-3-(6-aminopurin-9-yl)cyclopentane-1,2-diol;hydrochloride
CID 67400783

Frequently Asked Questions

What is the IUPAC name of 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol?
The IUPAC name of 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol (CID 70384732) is 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol.
What is the SMILES notation for 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol?
The canonical SMILES for 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol is Nc1ncnc2c1ncn2C1(O)C(=CF)CCC1O.
What is the InChIKey of 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol?
The InChIKey is SAKLQUNEQNJMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN5O2/c12-3-6-1-2-7(18)11(6,19)17-5-16-8-9(13)14-4-15-10(8)17/h3-5,7,18-19H,1-2H2,(H2,13,14,15).
What are the key properties of 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol?
1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol has a molecular weight of 265.25 g/mol, XLogP of 0.06, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-aminopurin-9-yl)-5-(fluoromethylidene)cyclopentane-1,2-diol is sourced from PubChem (CID 70384732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).