[(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol

C12H12FN5O2 — CID 164595382

IUPAC[(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol
SMILESC#C[C@@]1(CO)CCC(n2cnc3c(N)nc(F)nc32)O1
InChIInChI=1S/C12H12FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,6-7,19H,3-5H2,(H2,14,16,17)/t7?,12-/m0/s1
InChIKeyKLXASYNEJRYFMO-LRUBCLLZSA-N
MW277.26 g/mol
LogP0.22
Rot. Bonds2

About [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol

[(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol (PubChem CID 164595382) has the molecular formula C12H12FN5O2 and a molecular weight of 277.26 g/mol. Its IUPAC name is [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol
PubChem CID164595382
Molecular FormulaC12H12FN5O2
Molecular Weight277.26 g/mol
Exact Mass277.10
IUPAC Name[(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol
SMILESC#C[C@@]1(CO)CCC(n2cnc3c(N)nc(F)nc32)O1
InChIInChI=1S/C12H12FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,6-7,19H,3-5H2,(H2,14,16,17)/t7?,12-/m0/s1
InChIKeyKLXASYNEJRYFMO-LRUBCLLZSA-N
XLogP0.22
TPSA99.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methoxyphosphinous acid
CID 166551463
14-[[5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methoxy]-14-oxotetradecanoic acid
CID 155685207
[5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methyl octanoate
CID 162390748
(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethyl-5-prop-1-ynyloxolan-3-ol;9-[(2R,5R)-5-ethyl-5-prop-1-ynyloxolan-2-yl]-2-fluoropurin-6-amine
CID 158394518
(2R,3S,4R,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyl-2-(hydroxymethyl)oxolane-3,4-diol
CID 142617659
[(2R,5R)-2-(6-amino-2-fluoropurin-9-yl)-5-ethynyl-2H-furan-5-yl]methanol
CID 6483435
(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,5R)-2-ethynyl-5-[2-fluoro-6-(octanoylamino)purin-9-yl]oxolan-2-yl]methyl pentanoate
CID 167276139
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methyl 3-(2-acetyloxy-4,6-dimethylphenyl)-3-methylbutanoate
CID 156861232
acetylene;[5-(6-amino-2-fluoropurin-9-yl)oxolan-2-yl]methanol
CID 145281051
(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

Frequently Asked Questions

What is the IUPAC name of [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol?
The IUPAC name of [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol (CID 164595382) is [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol.
What is the SMILES notation for [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol?
The canonical SMILES for [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol is C#C[C@@]1(CO)CCC(n2cnc3c(N)nc(F)nc32)O1.
What is the InChIKey of [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol?
The InChIKey is KLXASYNEJRYFMO-LRUBCLLZSA-N. The full InChI is InChI=1S/C12H12FN5O2/c1-2-12(5-19)4-3-7(20-12)18-6-15-8-9(14)16-11(13)17-10(8)18/h1,6-7,19H,3-5H2,(H2,14,16,17)/t7?,12-/m0/s1.
What are the key properties of [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol?
[(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol has a molecular weight of 277.26 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-5-(6-amino-2-fluoropurin-9-yl)-2-ethynyloxolan-2-yl]methanol is sourced from PubChem (CID 164595382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).