2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

C10H14N6O3 — CID 13160027

IUPAC2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(N)c2ncn(C3OC(CO)CC3O)c2n1
InChIInChI=1S/C10H14N6O3/c11-7-6-8(15-10(12)14-7)16(3-13-6)9-5(18)1-4(2-17)19-9/h3-5,9,17-18H,1-2H2,(H4,11,12,14,15)
InChIKeyALUXLVWCGFWJMC-UHFFFAOYSA-N
MW266.26 g/mol
LogP-1.37
Rot. Bonds2

About 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol

2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol (PubChem CID 13160027) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
PubChem CID13160027
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
SMILESNc1nc(N)c2ncn(C3OC(CO)CC3O)c2n1
InChIInChI=1S/C10H14N6O3/c11-7-6-8(15-10(12)14-7)16(3-13-6)9-5(18)1-4(2-17)19-9/h3-5,9,17-18H,1-2H2,(H4,11,12,14,15)
InChIKeyALUXLVWCGFWJMC-UHFFFAOYSA-N
XLogP-1.37
TPSA145.33 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-1.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 2-(2,6-diaminopurin-9-yl)-5-(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

(3R)-2-(6-amino-2-methylpurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 143600600
[(2S,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluorooxolan-2-yl]methanol
CID 57008167
(2R,3R,5S)-2-[6-amino-2-(chloromethoxy)purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 67669536
(2R,3R,5S)-2-(2-amino-6-ethoxypurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 144948843
(2R,5S)-2-[6-amino-2-[(E)-2-bromoethenyl]purin-9-yl]-5-(hydroxymethyl)oxolan-3-ol
CID 171428870
magnesium;(2R,3R,5S)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol;hydride
CID 174820086
(2R,3R,4S,5R)-4-chloro-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
CID 144853999
trans-(1R,2R)-4-(2,6-diaminopurin-9-yl)cyclopentane-1,2-diol
CID 73050804
(2R,3R,5S)-2-(4-aminoimidazo[4,5-c]pyridin-1-yl)-5-(hydroxymethyl)oxolan-3-ol
CID 512705
(2R,3R,4R,5R)-5-(2,6-diaminopurin-9-yl)-4-fluoro-2-(hydroxymethyl)oxolan-3-ol;hydrate
CID 163209763
(3R,5S,7R)-7-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)oxepane-3,4,5-triol
CID 58940460
[(2S,4S,5R)-5-[2-amino-6-(methylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol;ethane
CID 145444491

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol (CID 13160027) is 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol is Nc1nc(N)c2ncn(C3OC(CO)CC3O)c2n1.
What is the InChIKey of 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
The InChIKey is ALUXLVWCGFWJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c11-7-6-8(15-10(12)14-7)16(3-13-6)9-5(18)1-4(2-17)19-9/h3-5,9,17-18H,1-2H2,(H4,11,12,14,15).
What are the key properties of 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol?
2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol has a molecular weight of 266.26 g/mol, XLogP of -1.37, 2 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diaminopurin-9-yl)-5-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 13160027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).