(2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

C11H17N5O3 — CID 66999379

IUPAC(2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCC1(N)N=CN=C2C1=NCN2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H17N5O3/c1-11(12)9-10(13-4-15-11)16(5-14-9)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3,5,12H2,1H3/t6-,7+,8+,11?/m0/s1
InChIKeyDURPCDWAXYKPIO-STAMCERTSA-N
MW267.29 g/mol
LogP-1.72
Rot. Bonds2

About (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol

(2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 66999379) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name(2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID66999379
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC Name(2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESCC1(N)N=CN=C2C1=NCN2[C@H]1C[C@H](O)[C@@H](CO)O1
InChIInChI=1S/C11H17N5O3/c1-11(12)9-10(13-4-15-11)16(5-14-9)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3,5,12H2,1H3/t6-,7+,8+,11?/m0/s1
InChIKeyDURPCDWAXYKPIO-STAMCERTSA-N
XLogP-1.72
TPSA116.03 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 5-1.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(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

Frequently Asked Questions

What is the IUPAC name of (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 66999379) is (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is CC1(N)N=CN=C2C1=NCN2[C@H]1C[C@H](O)[C@@H](CO)O1.
What is the InChIKey of (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is DURPCDWAXYKPIO-STAMCERTSA-N. The full InChI is InChI=1S/C11H17N5O3/c1-11(12)9-10(13-4-15-11)16(5-14-9)8-2-6(18)7(3-17)19-8/h4,6-8,17-18H,2-3,5,12H2,1H3/t6-,7+,8+,11?/m0/s1.
What are the key properties of (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
(2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 267.29 g/mol, XLogP of -1.72, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,5R)-5-(6-amino-6-methyl-8H-purin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 66999379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).