5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

C16H16FN5O3 — CID 74961463

IUPAC5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1nc(-c1ccccc1)n2C1OC(CO)C(O)C1F
InChIInChI=1S/C16H16FN5O3/c17-10-12(24)9(6-23)25-16(10)22-14(8-4-2-1-3-5-8)21-11-13(18)19-7-20-15(11)22/h1-5,7,9-10,12,16,23-24H,6H2,(H2,18,19,20)
InChIKeySJZBFBCFSAZKIF-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.66
Rot. Bonds3

About 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol

5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 74961463) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
PubChem CID74961463
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1nc(-c1ccccc1)n2C1OC(CO)C(O)C1F
InChIInChI=1S/C16H16FN5O3/c17-10-12(24)9(6-23)25-16(10)22-14(8-4-2-1-3-5-8)21-11-13(18)19-7-20-15(11)22/h1-5,7,9-10,12,16,23-24H,6H2,(H2,18,19,20)
InChIKeySJZBFBCFSAZKIF-UHFFFAOYSA-N
XLogP0.66
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.33
LogP ≤ 50.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol 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

(2R,3R,4R,5R)-5-(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 86573713
(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-(methylaminomethyl)oxolane-3,4-diol
CID 66855798
(2S,3R,4S,5R)-2-(6-amino-8-bromopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 7166681
(2R,3R,4S,5R)-2-(6-amino-8-phenylmethoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 14702123
(2R,5R)-2-(6-amino-8-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57098518
2-[6-amino-8-(2-phenylethenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 74033344
(2R,5R)-5-(6-amino-8-bromopurin-9-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 57131100
(2R,3R,4S,5R)-2-[6-amino-8-(2-phenoxyethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 59034992
(2R,3R,4S,5R)-2-[6-amino-8-[(3-phenylphenyl)methylamino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 118737963
(2R,3R,4S,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol;sulfuric acid
CID 25233764
(2R,5R)-2-(6-amino-8-phenylpurin-9-yl)-5-[[3-(methylamino)propylamino]methyl]oxolane-3,4-diol;sulfuric acid
CID 66856914
2-[6-amino-8-(2-phenylethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 4599830

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol (CID 74961463) is 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c1nc(-c1ccccc1)n2C1OC(CO)C(O)C1F.
What is the InChIKey of 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is SJZBFBCFSAZKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c17-10-12(24)9(6-23)25-16(10)22-14(8-4-2-1-3-5-8)21-11-13(18)19-7-20-15(11)22/h1-5,7,9-10,12,16,23-24H,6H2,(H2,18,19,20).
What are the key properties of 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol?
5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 345.33 g/mol, XLogP of 0.66, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 74961463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).