[(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol

C11H13FN4O2 — CID 58492863

IUPAC[(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESCC1N=Cc2ncn([C@@H]3O[C@H](CO)C=C3F)c2N1
InChIInChI=1S/C11H13FN4O2/c1-6-13-3-9-10(15-6)16(5-14-9)11-8(12)2-7(4-17)18-11/h2-3,5-7,11,15,17H,4H2,1H3/t6?,7-,11+/m0/s1
InChIKeyAFOXXLJEXIFMEI-DLEMEJAESA-N
MW252.25 g/mol
LogP0.82
Rot. Bonds2

About [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol

[(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol (PubChem CID 58492863) has the molecular formula C11H13FN4O2 and a molecular weight of 252.25 g/mol. Its IUPAC name is [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
PubChem CID58492863
Molecular FormulaC11H13FN4O2
Molecular Weight252.25 g/mol
Exact Mass252.10
IUPAC Name[(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol
SMILESCC1N=Cc2ncn([C@@H]3O[C@H](CO)C=C3F)c2N1
InChIInChI=1S/C11H13FN4O2/c1-6-13-3-9-10(15-6)16(5-14-9)11-8(12)2-7(4-17)18-11/h2-3,5-7,11,15,17H,4H2,1H3/t6?,7-,11+/m0/s1
InChIKeyAFOXXLJEXIFMEI-DLEMEJAESA-N
XLogP0.82
TPSA71.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-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

Frequently Asked Questions

What is the IUPAC name of [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The IUPAC name of [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol (CID 58492863) is [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol.
What is the SMILES notation for [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The canonical SMILES for [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol is CC1N=Cc2ncn([C@@H]3O[C@H](CO)C=C3F)c2N1.
What is the InChIKey of [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
The InChIKey is AFOXXLJEXIFMEI-DLEMEJAESA-N. The full InChI is InChI=1S/C11H13FN4O2/c1-6-13-3-9-10(15-6)16(5-14-9)11-8(12)2-7(4-17)18-11/h2-3,5-7,11,15,17H,4H2,1H3/t6?,7-,11+/m0/s1.
What are the key properties of [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol?
[(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol has a molecular weight of 252.25 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 [(2S,5R)-4-fluoro-5-(2-methyl-2,3-dihydropurin-9-yl)-2,5-dihydrofuran-2-yl]methanol is sourced from PubChem (CID 58492863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).