6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine

C11H17N5O2 — CID 106669246

IUPAC6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine
SMILESCOC(C)(C)CCOc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H17N5O2/c1-11(2,17-3)4-5-18-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyDTRJNYCNDUSTMS-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.13
Rot. Bonds5

About 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine

6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine (PubChem CID 106669246) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine.

Molecular Properties

Compound Name6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine
PubChem CID106669246
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine
SMILESCOC(C)(C)CCOc1nc(N)nc2nc[nH]c12
InChIInChI=1S/C11H17N5O2/c1-11(2,17-3)4-5-18-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyDTRJNYCNDUSTMS-UHFFFAOYSA-N
XLogP1.13
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(3-methoxy-3-methylbutoxy)-7H-purin-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-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine?
The IUPAC name of 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine (CID 106669246) is 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine.
What is the SMILES notation for 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine?
The canonical SMILES for 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine is COC(C)(C)CCOc1nc(N)nc2nc[nH]c12.
What is the InChIKey of 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine?
The InChIKey is DTRJNYCNDUSTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-11(2,17-3)4-5-18-9-7-8(14-6-13-7)15-10(12)16-9/h6H,4-5H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine?
6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine has a molecular weight of 251.29 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxy-3-methylbutoxy)-7H-purin-2-amine is sourced from PubChem (CID 106669246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).