(1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol

C15H18FN5OSi — CID 145339378

IUPAC(1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
SMILESC[Si](C)(C)C#C[C@]1(O)C[C@@H](n2cnc3c(N)ncnc32)C=C1F
InChIInChI=1S/C15H18FN5OSi/c1-23(2,3)5-4-15(22)7-10(6-11(15)16)21-9-20-12-13(17)18-8-19-14(12)21/h6,8-10,22H,7H2,1-3H3,(H2,17,18,19)/t10-,15-/m0/s1
InChIKeyDQMZEZRNMQPYTM-BONVTDFDSA-N
MW331.43 g/mol
LogP1.82
Rot. Bonds1

About (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol

(1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol (PubChem CID 145339378) has the molecular formula C15H18FN5OSi and a molecular weight of 331.43 g/mol. Its IUPAC name is (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
PubChem CID145339378
Molecular FormulaC15H18FN5OSi
Molecular Weight331.43 g/mol
Exact Mass331.13
IUPAC Name(1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol
SMILESC[Si](C)(C)C#C[C@]1(O)C[C@@H](n2cnc3c(N)ncnc32)C=C1F
InChIInChI=1S/C15H18FN5OSi/c1-23(2,3)5-4-15(22)7-10(6-11(15)16)21-9-20-12-13(17)18-8-19-14(12)21/h6,8-10,22H,7H2,1-3H3,(H2,17,18,19)/t10-,15-/m0/s1
InChIKeyDQMZEZRNMQPYTM-BONVTDFDSA-N
XLogP1.82
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.43
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol with MolForge

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Launch Full Analysis

Related Compounds

[(1S,4R)-4-(6-aminopurin-9-yl)-2-fluorocyclopent-2-en-1-yl]methanol
CID 15077057
4-(6-aminopurin-9-yl)cyclopent-2-ene-1-carbonitrile
CID 22985708
4-(6-aminopurin-9-yl)cyclohex-2-en-1-ol
CID 19047346
(1R,2S,3R,4R,5R,7S)-3-(6-aminopurin-9-yl)bicyclo[2.2.1]heptane-1,2,5,7-tetrol
CID 18388896
(1S,4S)-4-(6-aminopurin-9-yl)-2-(hydroxymethyl)cyclopent-2-en-1-ol
CID 506144
(1R,2S,4R,5S)-4-(6-aminopurin-9-yl)-1-(hydroxymethyl)-3-methylbicyclo[3.1.0]hexane-2,3-diol
CID 59157757
(1R,2S,3R,5R)-5-(6-aminopurin-9-yl)-3-(hydroxymethyl)-3-methylcyclopentane-1,2-diol
CID 102512363
9-cyclopent-2-en-1-ylpurin-6-amine
CID 15673657
9-(6-methyloxan-2-yl)purin-6-amine
CID 91511498
[(1S,3R)-3-(6-aminopurin-9-yl)-6-methyl-2,5-dioxabicyclo[2.2.1]heptan-1-yl]methanol
CID 162781865
(3S,6R)-6-(6-aminopurin-9-yl)-3,6-dihydro-2H-pyran-3-ol
CID 10752094
9-(4-methyliodanuidylcyclopent-2-en-1-yl)purin-6-amine
CID 149235601

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol (CID 145339378) is (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol is C[Si](C)(C)C#C[C@]1(O)C[C@@H](n2cnc3c(N)ncnc32)C=C1F.
What is the InChIKey of (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
The InChIKey is DQMZEZRNMQPYTM-BONVTDFDSA-N. The full InChI is InChI=1S/C15H18FN5OSi/c1-23(2,3)5-4-15(22)7-10(6-11(15)16)21-9-20-12-13(17)18-8-19-14(12)21/h6,8-10,22H,7H2,1-3H3,(H2,17,18,19)/t10-,15-/m0/s1.
What are the key properties of (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol?
(1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol has a molecular weight of 331.43 g/mol, XLogP of 1.82, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-(6-aminopurin-9-yl)-2-fluoro-1-(2-trimethylsilylethynyl)cyclopent-2-en-1-ol is sourced from PubChem (CID 145339378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).