(2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol

C15H23N5O4 — CID 67846145

IUPAC(2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
SMILESCCO[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC)ncnc32)[C@@]1(O)CC
InChIInChI=1S/C15H23N5O4/c1-4-15(22)11(23-5-2)9(6-21)24-14(15)20-8-19-10-12(16-3)17-7-18-13(10)20/h7-9,11,14,21-22H,4-6H2,1-3H3,(H,16,17,18)/t9-,11-,14-,15-/m1/s1
InChIKeyOLDJNWUCHYSVQP-NZQZLILVSA-N
MW337.38 g/mol
LogP0.30
Rot. Bonds6

About (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol

(2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol (PubChem CID 67846145) has the molecular formula C15H23N5O4 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol.

Molecular Properties

Compound Name(2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
PubChem CID67846145
Molecular FormulaC15H23N5O4
Molecular Weight337.38 g/mol
Exact Mass337.18
IUPAC Name(2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol
SMILESCCO[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC)ncnc32)[C@@]1(O)CC
InChIInChI=1S/C15H23N5O4/c1-4-15(22)11(23-5-2)9(6-21)24-14(15)20-8-19-10-12(16-3)17-7-18-13(10)20/h7-9,11,14,21-22H,4-6H2,1-3H3,(H,16,17,18)/t9-,11-,14-,15-/m1/s1
InChIKeyOLDJNWUCHYSVQP-NZQZLILVSA-N
XLogP0.30
TPSA114.55 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4R,5R)-3-(fluoromethyl)-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 24885223
(2S,3R,4S,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 5284425
tetrasodium;(2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol;tetranitrite
CID 24832760
(2R,3R,4R,5R)-5-(hydroxymethyl)-3-methyl-2-[6-(propoxyamino)purin-9-yl]oxolane-3,4-diol
CID 87668297
(2R,3S,5R)-5-deuterio-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxolan-3-ol
CID 171484455
(2R,3S,4R,5R)-2-[[(4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-5-[6-(methylamino)purin-9-yl]oxolane-3,4-diol
CID 66916953
(2R,3R,4R,5R)-2-[6-(2-hydroxyethylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 5273501
(2R,3S,5S)-2-(hydroxymethyl)-5-[6-(methylamino)purin-9-yl]oxan-3-ol
CID 10612692
(2R,3R,4S,5R)-2-[6-(deuteriomethylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 170698901
(3R,4R,5R)-2-[6-(cyclohexylamino)purin-9-yl]-5-(hydroxymethyl)-3-methyloxolane-3,4-diol
CID 46876783
1-[9-[(3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)-3-methyloxolan-2-yl]purin-6-yl]-3-ethylurea
CID 46877243
(2R,3S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-2-(hydroxymethyl)-4,4-dimethyloxolan-3-ol
CID 167334641

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
The IUPAC name of (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol (CID 67846145) is (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol.
What is the SMILES notation for (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
The canonical SMILES for (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol is CCO[C@@H]1[C@@H](CO)O[C@@H](n2cnc3c(NC)ncnc32)[C@@]1(O)CC.
What is the InChIKey of (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
The InChIKey is OLDJNWUCHYSVQP-NZQZLILVSA-N. The full InChI is InChI=1S/C15H23N5O4/c1-4-15(22)11(23-5-2)9(6-21)24-14(15)20-8-19-10-12(16-3)17-7-18-13(10)20/h7-9,11,14,21-22H,4-6H2,1-3H3,(H,16,17,18)/t9-,11-,14-,15-/m1/s1.
What are the key properties of (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol?
(2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol has a molecular weight of 337.38 g/mol, XLogP of 0.30, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R,5R)-4-ethoxy-3-ethyl-5-(hydroxymethyl)-2-[6-(methylamino)purin-9-yl]oxolan-3-ol is sourced from PubChem (CID 67846145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).