[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol

C₁₃H₁₉N₅O₂ — CID 170064725

About [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol

[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol (PubChem CID 170064725) has the molecular formula C₁₃H₁₉N₅O₂ and a molecular weight of 277.33 g/mol. Its IUPAC name is [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol.

Molecular Properties

• Compound Name: [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
• PubChem CID: 170064725
• Molecular Formula: C₁₃H₁₉N₅O₂
• Molecular Weight: 277.33 g/mol
• Exact Mass: 277.15
• IUPAC Name: [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol
• SMILES: C[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(N(C)C)ncnc21
• InChI: InChI=1S/C13H19N5O2/c1-8-4-9(5-19)20-13(8)18-7-16-10-11(17(2)3)14-6-15-12(10)18/h6-9,13,19H,4-5H2,1-3H3/t8-,9+,13-/m1/s1
• InChIKey: MUOVBYUCSRWABN-VYUIOLGVSA-N
• XLogP: 0.81
• TPSA: 76.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	277.33
LogP ≤ 5	0.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?

The IUPAC name of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol (CID 170064725) is [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol.

What is the SMILES notation for [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?

The canonical SMILES for [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol is C[C@@H]1C[C@@H](CO)O[C@H]1n1cnc2c(N(C)C)ncnc21.

What is the InChIKey of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?

The InChIKey is MUOVBYUCSRWABN-VYUIOLGVSA-N. The full InChI is InChI=1S/C13H19N5O2/c1-8-4-9(5-19)20-13(8)18-7-16-10-11(17(2)3)14-6-15-12(10)18/h6-9,13,19H,4-5H2,1-3H3/t8-,9+,13-/m1/s1.

What are the key properties of [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol?

[(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol has a molecular weight of 277.33 g/mol, XLogP of 0.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S,4R,5R)-5-[6-(dimethylamino)purin-9-yl]-4-methyloxolan-2-yl]methanol is sourced from PubChem (CID 170064725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 170064725 — identifiers, structure, computed properties (public domain)

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