(2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C19H23N5O5 — CID 67868540

IUPAC(2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC(COc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1)c1ccccc1
InChIInChI=1S/C19H23N5O5/c1-10(11-5-3-2-4-6-11)8-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(7-25)29-18/h2-6,9-10,12,14-15,18,25-27H,7-8H2,1H3,(H2,20,22,23)/t10?,12-,14?,15?,18-/m1/s1
InChIKeyCTUSVFIAVAGJSZ-XLIIVRQYSA-N
MW401.42 g/mol
LogP0.20
Rot. Bonds6

About (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 67868540) has the molecular formula C19H23N5O5 and a molecular weight of 401.42 g/mol. Its IUPAC name is (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID67868540
Molecular FormulaC19H23N5O5
Molecular Weight401.42 g/mol
Exact Mass401.17
IUPAC Name(2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCC(COc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1)c1ccccc1
InChIInChI=1S/C19H23N5O5/c1-10(11-5-3-2-4-6-11)8-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(7-25)29-18/h2-6,9-10,12,14-15,18,25-27H,7-8H2,1H3,(H2,20,22,23)/t10?,12-,14?,15?,18-/m1/s1
InChIKeyCTUSVFIAVAGJSZ-XLIIVRQYSA-N
XLogP0.20
TPSA148.77 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 50.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol 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,4S,5R)-2-[6-amino-2-[ethyl(2-phenylpropyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154217751
(2R,3R,4S,5R)-2-[6-amino-2-[ethyl-[(2S)-2-phenylpropyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 67923246
(3R,4S,5R)-2-[6-amino-2-[2-(2-methoxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 46876732
(2R,5R)-2-[6-amino-2-(tert-butylamino)oxypurin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 91141880
(2R,3R,4S,5R)-2-[6-amino-2-[[(2S)-2-hydroxy-2-phenylethyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 15036617
(2S,3R,4S,5R)-2-[6-amino-2-[2-(4-fluorophenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 42641151
(2R,5R)-2-(6-amino-2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57273473
(3R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59408599
(2R,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57128578
(4S,5R)-2-(6-amino-2-hydrazinylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 59760572
(2R,3R,4S,5R)-2-(6-amino-2-propoxypurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;bicyclo[2.2.1]heptane
CID 121486738
(2R,5R)-2-[6-amino-2-[2-(3-methoxyphenyl)ethoxy]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57131094

Frequently Asked Questions

What is the IUPAC name of (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 67868540) is (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is CC(COc1nc(N)c2ncn([C@@H]3O[C@H](CO)C(O)C3O)c2n1)c1ccccc1.
What is the InChIKey of (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is CTUSVFIAVAGJSZ-XLIIVRQYSA-N. The full InChI is InChI=1S/C19H23N5O5/c1-10(11-5-3-2-4-6-11)8-28-19-22-16(20)13-17(23-19)24(9-21-13)18-15(27)14(26)12(7-25)29-18/h2-6,9-10,12,14-15,18,25-27H,7-8H2,1H3,(H2,20,22,23)/t10?,12-,14?,15?,18-/m1/s1.
What are the key properties of (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 401.42 g/mol, XLogP of 0.20, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5R)-2-[6-amino-2-(2-phenylpropoxy)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 67868540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).