8-(ethoxymethyl)-7H-purine

C8H10N4O — CID 114402549

IUPAC8-(ethoxymethyl)-7H-purine
SMILESCCOCc1nc2ncncc2[nH]1
InChIInChI=1S/C8H10N4O/c1-2-13-4-7-11-6-3-9-5-10-8(6)12-7/h3,5H,2,4H2,1H3,(H,9,10,11,12)
InChIKeyONFLUWPQCOFNNQ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.89
Rot. Bonds3

About 8-(ethoxymethyl)-7H-purine

8-(ethoxymethyl)-7H-purine (PubChem CID 114402549) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 8-(ethoxymethyl)-7H-purine.

Molecular Properties

Compound Name8-(ethoxymethyl)-7H-purine
PubChem CID114402549
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name8-(ethoxymethyl)-7H-purine
SMILESCCOCc1nc2ncncc2[nH]1
InChIInChI=1S/C8H10N4O/c1-2-13-4-7-11-6-3-9-5-10-8(6)12-7/h3,5H,2,4H2,1H3,(H,9,10,11,12)
InChIKeyONFLUWPQCOFNNQ-UHFFFAOYSA-N
XLogP0.89
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl-dimethyl-(7H-purin-8-ylmethoxy)silane
CID 18931509
2-(7H-purin-8-yl)acetaldehyde
CID 54084471
2-(7H-purin-8-yl)ethanamine
CID 83671812
8-(5-ethoxy-2-pyridinyl)-7H-purine
CID 167794700
6-(7H-purin-8-yl)hexan-1-amine
CID 114402076
3-(7H-purin-8-yl)propanoic acid
CID 83671901
N-but-1-enyl-7H-purin-8-amine
CID 70003490
8-(2,2-dimethylpropoxy)-7H-purine
CID 68938396
1,1,1-trifluoro-3-(7H-purin-8-yl)propan-2-ol
CID 114403043
8-(3-phenylpropyl)-7H-purine
CID 114402499
N-propyl-7H-purin-8-amine
CID 54527137
N-methyl-1-(7H-purin-8-ylmethyl)cyclohexan-1-amine
CID 114401934

Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-7H-purine?
The IUPAC name of 8-(ethoxymethyl)-7H-purine (CID 114402549) is 8-(ethoxymethyl)-7H-purine.
What is the SMILES notation for 8-(ethoxymethyl)-7H-purine?
The canonical SMILES for 8-(ethoxymethyl)-7H-purine is CCOCc1nc2ncncc2[nH]1.
What is the InChIKey of 8-(ethoxymethyl)-7H-purine?
The InChIKey is ONFLUWPQCOFNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-13-4-7-11-6-3-9-5-10-8(6)12-7/h3,5H,2,4H2,1H3,(H,9,10,11,12).
What are the key properties of 8-(ethoxymethyl)-7H-purine?
8-(ethoxymethyl)-7H-purine has a molecular weight of 178.19 g/mol, XLogP of 0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-7H-purine is sourced from PubChem (CID 114402549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).