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

C10H13N5O3 — CID 636

IUPAC5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1ncn2C1CC(O)C(CO)O1
InChIInChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
InChIKeyOLXZPDWKRNYJJZ-UHFFFAOYSA-N
MW251.25 g/mol
LogP-0.95
Rot. Bonds2

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

5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (PubChem CID 636) has the molecular formula C10H13N5O3 and a molecular weight of 251.25 g/mol. Its IUPAC name is 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
PubChem CID636
Molecular FormulaC10H13N5O3
Molecular Weight251.25 g/mol
Exact Mass251.10
IUPAC Name5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol
SMILESNc1ncnc2c1ncn2C1CC(O)C(CO)O1
InChIInChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13)
InChIKeyOLXZPDWKRNYJJZ-UHFFFAOYSA-N
XLogP-0.95
TPSA119.31 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The IUPAC name of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol (CID 636) is 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol.
What is the SMILES notation for 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The canonical SMILES for 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is Nc1ncnc2c1ncn2C1CC(O)C(CO)O1.
What is the InChIKey of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
The InChIKey is OLXZPDWKRNYJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(17)6(2-16)18-7/h3-7,16-17H,1-2H2,(H2,11,12,13).
What are the key properties of 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol?
5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol has a molecular weight of 251.25 g/mol, XLogP of -0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopurin-9-yl)-2-(hydroxymethyl)oxolan-3-ol is sourced from PubChem (CID 636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).