6-prop-2-enoxy-9-prop-2-enylpurin-2-amine

C11H13N5O — CID 18365135

IUPAC6-prop-2-enoxy-9-prop-2-enylpurin-2-amine
SMILESC=CCOc1nc(N)nc2c1ncn2CC=C
InChIInChI=1S/C11H13N5O/c1-3-5-16-7-13-8-9(16)14-11(12)15-10(8)17-6-4-2/h3-4,7H,1-2,5-6H2,(H2,12,14,15)
InChIKeyRZYRVMDMLMFPRE-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.16
Rot. Bonds5

About 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine

6-prop-2-enoxy-9-prop-2-enylpurin-2-amine (PubChem CID 18365135) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine.

Molecular Properties

Compound Name6-prop-2-enoxy-9-prop-2-enylpurin-2-amine
PubChem CID18365135
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-prop-2-enoxy-9-prop-2-enylpurin-2-amine
SMILESC=CCOc1nc(N)nc2c1ncn2CC=C
InChIInChI=1S/C11H13N5O/c1-3-5-16-7-13-8-9(16)14-11(12)15-10(8)17-6-4-2/h3-4,7H,1-2,5-6H2,(H2,12,14,15)
InChIKeyRZYRVMDMLMFPRE-UHFFFAOYSA-N
XLogP1.16
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine?
The IUPAC name of 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine (CID 18365135) is 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine.
What is the SMILES notation for 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine?
The canonical SMILES for 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine is C=CCOc1nc(N)nc2c1ncn2CC=C.
What is the InChIKey of 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine?
The InChIKey is RZYRVMDMLMFPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-3-5-16-7-13-8-9(16)14-11(12)15-10(8)17-6-4-2/h3-4,7H,1-2,5-6H2,(H2,12,14,15).
What are the key properties of 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine?
6-prop-2-enoxy-9-prop-2-enylpurin-2-amine has a molecular weight of 231.26 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enoxy-9-prop-2-enylpurin-2-amine is sourced from PubChem (CID 18365135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).