[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol

C12H10FN5O2 — CID 6483435

IUPAC[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol
SMILESC#C[C@@]1(CO)C=C[C@H](n2cnc3c(N)nc(F)nc32)O1
InChIInChI=1S/C12H10FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,3-4,6-7,19H,5H2,(H2,14,16,17)/t7-,12+/m1/s1
InChIKeyAHGUGKZOPNWSMI-KRTXAFLBSA-N
MW275.24 g/mol
LogP-0.00
Rot. Bonds2

About [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol

[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol (PubChem CID 6483435) has the molecular formula C12H10FN5O2 and a molecular weight of 275.24 g/mol. Its IUPAC name is [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol.

Molecular Properties

Compound Name[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol
PubChem CID6483435
Molecular FormulaC12H10FN5O2
Molecular Weight275.24 g/mol
Exact Mass275.08
IUPAC Name[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol
SMILESC#C[C@@]1(CO)C=C[C@H](n2cnc3c(N)nc(F)nc32)O1
InChIInChI=1S/C12H10FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,3-4,6-7,19H,5H2,(H2,14,16,17)/t7-,12+/m1/s1
InChIKeyAHGUGKZOPNWSMI-KRTXAFLBSA-N
XLogP-0.00
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol with MolForge

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Launch Full Analysis

Related Compounds

(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 142617659
[(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol
CID 164595382
acetylene;[5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 163227449
[(2S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172905
[(2R,5S)-5-(6-amino-2-fluoropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
CID 15172904
(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 24763960
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolan-3-ol;9-[(2R,4S,5R)-5-ethyl-5-ethynyl-4-methyloxolan-2-yl]-2-fluoropurin-6-amine
CID 167586343
(2R,3S)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-methyloxolan-3-ol
CID 137434563
[(3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-3-methyloxolan-2-yl]methanol
CID 170212867
[(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-3-hydroxyoxolan-2-yl]methyl hydrogen carbonate
CID 169224679
[(3R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-3-yl]methanol
CID 70294458
(2R,3S,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-(hydroxymethyl)-2-[(E)-prop-1-enyl]oxolan-3-ol
CID 176809457

Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol?
The IUPAC name of [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol (CID 6483435) is [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol.
What is the SMILES notation for [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol?
The canonical SMILES for [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol is C#C[C@@]1(CO)C=C[C@H](n2cnc3c(N)nc(F)nc32)O1.
What is the InChIKey of [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol?
The InChIKey is AHGUGKZOPNWSMI-KRTXAFLBSA-N. The full InChI is InChI=1S/C12H10FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,3-4,6-7,19H,5H2,(H2,14,16,17)/t7-,12+/m1/s1.
What are the key properties of [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol?
[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol has a molecular weight of 275.24 g/mol, XLogP of -0.00, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol is sourced from PubChem (CID 6483435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).