6-(2-methylprop-2-enoxy)-7H-purin-2-amine

C9H11N5O — CID 5329503

IUPAC6-(2-methylprop-2-enoxy)-7H-purin-2-amine
SMILESC=C(C)COc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)
InChIKeySKVCEFNZQMPWEN-UHFFFAOYSA-N
MW205.22 g/mol
LogP0.89
Rot. Bonds3

About 6-(2-methylprop-2-enoxy)-7H-purin-2-amine

6-(2-methylprop-2-enoxy)-7H-purin-2-amine (PubChem CID 5329503) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 6-(2-methylprop-2-enoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2-methylprop-2-enoxy)-7H-purin-2-amine
PubChem CID5329503
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name6-(2-methylprop-2-enoxy)-7H-purin-2-amine
SMILESC=C(C)COc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14)
InChIKeySKVCEFNZQMPWEN-UHFFFAOYSA-N
XLogP0.89
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 50.89
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-(2-methylprop-2-enoxy)-7H-purin-2-amine?
The IUPAC name of 6-(2-methylprop-2-enoxy)-7H-purin-2-amine (CID 5329503) is 6-(2-methylprop-2-enoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(2-methylprop-2-enoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(2-methylprop-2-enoxy)-7H-purin-2-amine is C=C(C)COc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-(2-methylprop-2-enoxy)-7H-purin-2-amine?
The InChIKey is SKVCEFNZQMPWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-5(2)3-15-8-6-7(12-4-11-6)13-9(10)14-8/h4H,1,3H2,2H3,(H3,10,11,12,13,14).
What are the key properties of 6-(2-methylprop-2-enoxy)-7H-purin-2-amine?
6-(2-methylprop-2-enoxy)-7H-purin-2-amine has a molecular weight of 205.22 g/mol, XLogP of 0.89, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylprop-2-enoxy)-7H-purin-2-amine is sourced from PubChem (CID 5329503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).