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

C16H16FN5O3 — CID 154716723

IUPAC5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(F)nc2c1nc(-c1ccccc1)n2C1CC(O)C(CO)O1
InChIInChI=1S/C16H16FN5O3/c17-16-20-13(18)12-15(21-16)22(11-6-9(24)10(7-23)25-11)14(19-12)8-4-2-1-3-5-8/h1-5,9-11,23-24H,6-7H2,(H2,18,20,21)
InChIKeyZTJUWIZGZBWNEN-UHFFFAOYSA-N
MW345.33 g/mol
LogP0.86
Rot. Bonds3

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

5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 154716723) has the molecular formula C16H16FN5O3 and a molecular weight of 345.33 g/mol. Its IUPAC name is 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID154716723
Molecular FormulaC16H16FN5O3
Molecular Weight345.33 g/mol
Exact Mass345.12
IUPAC Name5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(F)nc2c1nc(-c1ccccc1)n2C1CC(O)C(CO)O1
InChIInChI=1S/C16H16FN5O3/c17-16-20-13(18)12-15(21-16)22(11-6-9(24)10(7-23)25-11)14(19-12)8-4-2-1-3-5-8/h1-5,9-11,23-24H,6-7H2,(H2,18,20,21)
InChIKeyZTJUWIZGZBWNEN-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

(2R,3S,5R)-5-(7-amino-5-fluorotriazolo[4,5-d]pyrimidin-3-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 90663654
(2R,3S,5R)-5-[6-amino-8-[4-(6-pyridin-2-yl-2-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584681
(2R,3S,5R)-5-[6-amino-8-[4-(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]purin-9-yl]-2-(hydroxymethyl)oxolan-3-ol
CID 23584459
1-[4-[4-[6-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]phenyl]phenyl]ethanone
CID 139184636
2-amino-9-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-methoxyphenyl)-1H-purin-6-one
CID 135465643
(2R,5R)-5-(6-amino-8-phenylmethoxypurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 163296362
2-amino-9-[4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-thiophen-2-yl-1H-purin-6-one
CID 136648350
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-phenylpyrimidin-2-one
CID 5274196
[(2R,5R)-5-(6-amino-2-fluoropurin-9-yl)-3-fluorooxolan-2-yl]methanol
CID 57318996
5-(6-amino-8-phenylpurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol
CID 74961463
2-amino-9-[(2R,4R,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-(4-phenylanilino)-1H-purin-6-one
CID 135912889
(2R,3S,5R)-2-(hydroxymethyl)-5-indolo[3,2-b]quinoxalin-6-yloxolan-3-ol
CID 101424265

Frequently Asked Questions

What is the IUPAC name of 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 154716723) is 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1nc(F)nc2c1nc(-c1ccccc1)n2C1CC(O)C(CO)O1.
What is the InChIKey of 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is ZTJUWIZGZBWNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O3/c17-16-20-13(18)12-15(21-16)22(11-6-9(24)10(7-23)25-11)14(19-12)8-4-2-1-3-5-8/h1-5,9-11,23-24H,6-7H2,(H2,18,20,21).
What are the key properties of 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 345.33 g/mol, XLogP of 0.86, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-amino-2-fluoro-8-phenylpurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 154716723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).