2-(2,2-dimethylpropoxy)-7H-purine

C10H14N4O — CID 68938399

IUPAC2-(2,2-dimethylpropoxy)-7H-purine
SMILESCC(C)(C)COc1ncc2[nH]cnc2n1
InChIInChI=1S/C10H14N4O/c1-10(2,3)5-15-9-11-4-7-8(14-9)13-6-12-7/h4,6H,5H2,1-3H3,(H,11,12,13,14)
InChIKeyJRUPLJVEMUTUMD-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.78
Rot. Bonds2

About 2-(2,2-dimethylpropoxy)-7H-purine

2-(2,2-dimethylpropoxy)-7H-purine (PubChem CID 68938399) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-(2,2-dimethylpropoxy)-7H-purine.

Molecular Properties

Compound Name2-(2,2-dimethylpropoxy)-7H-purine
PubChem CID68938399
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-(2,2-dimethylpropoxy)-7H-purine
SMILESCC(C)(C)COc1ncc2[nH]cnc2n1
InChIInChI=1S/C10H14N4O/c1-10(2,3)5-15-9-11-4-7-8(14-9)13-6-12-7/h4,6H,5H2,1-3H3,(H,11,12,13,14)
InChIKeyJRUPLJVEMUTUMD-UHFFFAOYSA-N
XLogP1.78
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropoxy)-7H-purine?
The IUPAC name of 2-(2,2-dimethylpropoxy)-7H-purine (CID 68938399) is 2-(2,2-dimethylpropoxy)-7H-purine.
What is the SMILES notation for 2-(2,2-dimethylpropoxy)-7H-purine?
The canonical SMILES for 2-(2,2-dimethylpropoxy)-7H-purine is CC(C)(C)COc1ncc2[nH]cnc2n1.
What is the InChIKey of 2-(2,2-dimethylpropoxy)-7H-purine?
The InChIKey is JRUPLJVEMUTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-10(2,3)5-15-9-11-4-7-8(14-9)13-6-12-7/h4,6H,5H2,1-3H3,(H,11,12,13,14).
What are the key properties of 2-(2,2-dimethylpropoxy)-7H-purine?
2-(2,2-dimethylpropoxy)-7H-purine has a molecular weight of 206.25 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropoxy)-7H-purine is sourced from PubChem (CID 68938399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).