[(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol

C11H12FN5O — CID 5278752

IUPAC[(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@@H](CO)C=C1F
InChIInChI=1S/C11H12FN5O/c12-7-1-6(3-18)2-8(7)17-5-16-9-10(13)14-4-15-11(9)17/h1,4-6,8,18H,2-3H2,(H2,13,14,15)/t6-,8-/m0/s1
InChIKeyLUPNKJHXOGNGOK-XPUUQOCRSA-N
MW249.25 g/mol
LogP0.82
Rot. Bonds2

About [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol

[(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol (PubChem CID 5278752) has the molecular formula C11H12FN5O and a molecular weight of 249.25 g/mol. Its IUPAC name is [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol.

Molecular Properties

Compound Name[(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol
PubChem CID5278752
Molecular FormulaC11H12FN5O
Molecular Weight249.25 g/mol
Exact Mass249.10
IUPAC Name[(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol
SMILESNc1ncnc2c1ncn2[C@H]1C[C@@H](CO)C=C1F
InChIInChI=1S/C11H12FN5O/c12-7-1-6(3-18)2-8(7)17-5-16-9-10(13)14-4-15-11(9)17/h1,4-6,8,18H,2-3H2,(H2,13,14,15)/t6-,8-/m0/s1
InChIKeyLUPNKJHXOGNGOK-XPUUQOCRSA-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

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Frequently Asked Questions

What is the IUPAC name of [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol?
The IUPAC name of [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol (CID 5278752) is [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol.
What is the SMILES notation for [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol?
The canonical SMILES for [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol is Nc1ncnc2c1ncn2[C@H]1C[C@@H](CO)C=C1F.
What is the InChIKey of [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol?
The InChIKey is LUPNKJHXOGNGOK-XPUUQOCRSA-N. The full InChI is InChI=1S/C11H12FN5O/c12-7-1-6(3-18)2-8(7)17-5-16-9-10(13)14-4-15-11(9)17/h1,4-6,8,18H,2-3H2,(H2,13,14,15)/t6-,8-/m0/s1.
What are the key properties of [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol?
[(1R,4S)-4-(6-aminopurin-9-yl)-3-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 [(1R,4S)-4-(6-aminopurin-9-yl)-3-fluorocyclopent-2-en-1-yl]methanol is sourced from PubChem (CID 5278752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).