6-(oxolan-2-ylmethoxy)-7H-purin-2-amine

C10H13N5O2 — CID 3260009

IUPAC6-(oxolan-2-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCC2CCCO2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h5-6H,1-4H2,(H3,11,12,13,14,15)
InChIKeyHNPVBOXKEKDGNE-UHFFFAOYSA-N
MW235.25 g/mol
LogP0.49
Rot. Bonds3

About 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine

6-(oxolan-2-ylmethoxy)-7H-purin-2-amine (PubChem CID 3260009) has the molecular formula C10H13N5O2 and a molecular weight of 235.25 g/mol. Its IUPAC name is 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(oxolan-2-ylmethoxy)-7H-purin-2-amine
PubChem CID3260009
Molecular FormulaC10H13N5O2
Molecular Weight235.25 g/mol
Exact Mass235.11
IUPAC Name6-(oxolan-2-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCC2CCCO2)c2[nH]cnc2n1
InChIInChI=1S/C10H13N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h5-6H,1-4H2,(H3,11,12,13,14,15)
InChIKeyHNPVBOXKEKDGNE-UHFFFAOYSA-N
XLogP0.49
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine?
The IUPAC name of 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine (CID 3260009) is 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine is Nc1nc(OCC2CCCO2)c2[nH]cnc2n1.
What is the InChIKey of 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine?
The InChIKey is HNPVBOXKEKDGNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h5-6H,1-4H2,(H3,11,12,13,14,15).
What are the key properties of 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine?
6-(oxolan-2-ylmethoxy)-7H-purin-2-amine has a molecular weight of 235.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(oxolan-2-ylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 3260009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).