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

C10H9N5O2 — CID 10585590

IUPAC6-(furan-2-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H9N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15)
InChIKeyVKXMSKQUVWHURA-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.11
Rot. Bonds3

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

6-(furan-2-ylmethoxy)-7H-purin-2-amine (PubChem CID 10585590) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 6-(furan-2-ylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(furan-2-ylmethoxy)-7H-purin-2-amine
PubChem CID10585590
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name6-(furan-2-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCc2ccco2)c2[nH]cnc2n1
InChIInChI=1S/C10H9N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15)
InChIKeyVKXMSKQUVWHURA-UHFFFAOYSA-N
XLogP1.11
TPSA102.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-ylmethoxy)-7H-purin-2-amine?
The IUPAC name of 6-(furan-2-ylmethoxy)-7H-purin-2-amine (CID 10585590) is 6-(furan-2-ylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(furan-2-ylmethoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(furan-2-ylmethoxy)-7H-purin-2-amine is Nc1nc(OCc2ccco2)c2[nH]cnc2n1.
What is the InChIKey of 6-(furan-2-ylmethoxy)-7H-purin-2-amine?
The InChIKey is VKXMSKQUVWHURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c11-10-14-8-7(12-5-13-8)9(15-10)17-4-6-2-1-3-16-6/h1-3,5H,4H2,(H3,11,12,13,14,15).
What are the key properties of 6-(furan-2-ylmethoxy)-7H-purin-2-amine?
6-(furan-2-ylmethoxy)-7H-purin-2-amine has a molecular weight of 231.22 g/mol, XLogP of 1.11, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-ylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 10585590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).