(2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

C25H26N6O4 — CID 67923078

IUPAC(2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN(Cc1cccc2c1Cc1ccccc1-2)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C25H26N6O4/c1-30(10-14-6-4-8-16-15-7-3-2-5-13(15)9-17(14)16)25-28-22(26)19-23(29-25)31(12-27-19)24-21(34)20(33)18(11-32)35-24/h2-8,12,18,20-21,24,32-34H,9-11H2,1H3,(H2,26,28,29)/t18-,20-,21-,24-/m1/s1
InChIKeyOEAPRSANZGDNQI-UMCMBGNQSA-N
MW474.52 g/mol
LogP1.23
Rot. Bonds5

About (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol

(2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (PubChem CID 67923078) has the molecular formula C25H26N6O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
PubChem CID67923078
Molecular FormulaC25H26N6O4
Molecular Weight474.52 g/mol
Exact Mass474.20
IUPAC Name(2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
SMILESCN(Cc1cccc2c1Cc1ccccc1-2)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1
InChIInChI=1S/C25H26N6O4/c1-30(10-14-6-4-8-16-15-7-3-2-5-13(15)9-17(14)16)25-28-22(26)19-23(29-25)31(12-27-19)24-21(34)20(33)18(11-32)35-24/h2-8,12,18,20-21,24,32-34H,9-11H2,1H3,(H2,26,28,29)/t18-,20-,21-,24-/m1/s1
InChIKeyOEAPRSANZGDNQI-UMCMBGNQSA-N
XLogP1.23
TPSA142.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 51.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

(2R,3R,4S,5R)-2-[6-amino-2-(2-chlorophenyl)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 154121086
(2R,3R,4S,5R)-2-[6-amino-2-(2,3-dihydro-1H-inden-2-ylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 15690127
(2R,3R,4S,5R)-2-(6-amino-2-pyridin-2-ylpurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 121486926
(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-(2-ethylanilino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 67567563
(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-[ethyl-[(2S)-2-phenylpropyl]amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol;hydrochloride
CID 67923246
(2R,3R,4S,5S)-2-(6-amino-2-naphthalen-1-ylpurin-9-yl)-5-(sulfanylmethyl)oxolane-3,4-diol
CID 54548115
(2R,5R)-2-(6-amino-2-anilinopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 57273473
(2R,3R,4S,5S)-2-(6-amino-2-chloropurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol
CID 6603778

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The IUPAC name of (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol (CID 67923078) is (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol.
What is the SMILES notation for (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The canonical SMILES for (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is CN(Cc1cccc2c1Cc1ccccc1-2)c1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1.
What is the InChIKey of (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
The InChIKey is OEAPRSANZGDNQI-UMCMBGNQSA-N. The full InChI is InChI=1S/C25H26N6O4/c1-30(10-14-6-4-8-16-15-7-3-2-5-13(15)9-17(14)16)25-28-22(26)19-23(29-25)31(12-27-19)24-21(34)20(33)18(11-32)35-24/h2-8,12,18,20-21,24,32-34H,9-11H2,1H3,(H2,26,28,29)/t18-,20-,21-,24-/m1/s1.
What are the key properties of (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol?
(2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol has a molecular weight of 474.52 g/mol, XLogP of 1.23, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4S,5R)-2-[6-amino-2-[9H-fluoren-1-ylmethyl(methyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol is sourced from PubChem (CID 67923078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).