(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol

C15H26N6O5 — CID 69018733

About (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol (PubChem CID 69018733) has the molecular formula C15H26N6O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol.

Molecular Properties

• Compound Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol
• PubChem CID: 69018733
• Molecular Formula: C15H26N6O5
• Molecular Weight: 370.41 g/mol
• Exact Mass: 370.20
• IUPAC Name: (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol
• SMILES: CN(C)C(C)(C)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O
• InChI: InChI=1S/C10H13N5O4.C5H13NO/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-5(2,7)6(3)4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);7H,1-4H3/t4-,6-,7-,10-;/m1./s1
• InChIKey: ZLPODDWPPDQFMV-MCDZGGTQSA-N
• XLogP: -1.70
• TPSA: 163.01 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	370.41
LogP ≤ 5	-1.70
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol?

The IUPAC name of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol (CID 69018733) is (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol.

What is the SMILES notation for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol?

The canonical SMILES for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol is CN(C)C(C)(C)O.Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O.

What is the InChIKey of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol?

The InChIKey is ZLPODDWPPDQFMV-MCDZGGTQSA-N. The full InChI is InChI=1S/C10H13N5O4.C5H13NO/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10;1-5(2,7)6(3)4/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13);7H,1-4H3/t4-,6-,7-,10-;/m1./s1.

What are the key properties of (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol?

(2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol has a molecular weight of 370.41 g/mol, XLogP of -1.70, 3 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,3R,4S,5R)-2-(6-aminopurin-9-yl)-5-(hydroxymethyl)oxolane-3,4-diol;2-(dimethylamino)propan-2-ol is sourced from PubChem (CID 69018733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).