[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol

C11H12FN5O — CID 15077057

IUPAC[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C=C(F)[C@H](CO)C1
InChIInChI=1S/C11H12FN5O/c12-8-2-7(1-6(8)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h2,4-7,18H,1,3H2,(H2,13,14,15)/t6-,7+/m0/s1
InChIKeyVCYFRVYLPOYTDT-NKWVEPMBSA-N
MW249.25 g/mol
LogP0.82
Rot. Bonds2

About [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol

[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol (PubChem CID 15077057) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
PubChem CID15077057
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C=C(F)[C@H](CO)C1
InChIInChI=1S/C11H12FN5O/c12-8-2-7(1-6(8)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h2,4-7,18H,1,3H2,(H2,13,14,15)/t6-,7+/m0/s1
InChIKeyVCYFRVYLPOYTDT-NKWVEPMBSA-N
XLogP0.82
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol with MolForge

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Related Compounds

9-[(1R,4R)-3-fluoro-4-(hydroxymethyl)cyclopent-2-en-1-yl]-1H-purin-6-one
CID 135510354
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
[3-(6-aminopurin-9-yl)-2-methylidenecyclobutyl]methanol
CID 20846249
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
[(1S,2S,3S)-3-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclobutyl]methanol
CID 10562568
[(1R,2S)-2-(6-aminopurin-9-yl)cyclobutyl]methanol
CID 15332075
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
CID 23358719
(2S,3S,5R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 7059421
(2S,3R)-5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 125344325
(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)thiolan-3-ol
CID 22844868

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol (CID 15077057) is [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol is Nc1ncnc2c1ncn2[C@H]1C=C(F)[C@H](CO)C1.
What is the InChIKey of [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol?
The InChIKey is VCYFRVYLPOYTDT-NKWVEPMBSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-8-2-7(1-6(8)3-18)17-5-16-9-10(13)14-4-15-11(9)17/h2,4-7,18H,1,3H2,(H2,13,14,15)/t6-,7+/m0/s1.
What are the key properties of [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol?
[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol has a molecular weight of 249.25 g/mol, XLogP of 0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 15077057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).