6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine

C11H13N5O — CID 5329510

IUPAC6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCC2=CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)
InChIKeyBSCBVJDZICZHJY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.42
Rot. Bonds3

About 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine

6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine (PubChem CID 5329510) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine
PubChem CID5329510
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine
SMILESNc1nc(OCC2=CCCC2)c2[nH]cnc2n1
InChIInChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16)
InChIKeyBSCBVJDZICZHJY-UHFFFAOYSA-N
XLogP1.42
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine?
The IUPAC name of 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine (CID 5329510) is 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine is Nc1nc(OCC2=CCCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine?
The InChIKey is BSCBVJDZICZHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c12-11-15-9-8(13-6-14-9)10(16-11)17-5-7-3-1-2-4-7/h3,6H,1-2,4-5H2,(H3,12,13,14,15,16).
What are the key properties of 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine?
6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine has a molecular weight of 231.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclopenten-1-ylmethoxy)-7H-purin-2-amine is sourced from PubChem (CID 5329510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).