6-(1-ethoxyethenyl)-7H-purine

C9H10N4O — CID 18670312

IUPAC6-(1-ethoxyethenyl)-7H-purine
SMILESC=C(OCC)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H10N4O/c1-3-14-6(2)7-8-9(12-4-10-7)13-5-11-8/h4-5H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyHYDYYVTVEHATQX-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.36
Rot. Bonds3

About 6-(1-ethoxyethenyl)-7H-purine

6-(1-ethoxyethenyl)-7H-purine (PubChem CID 18670312) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 6-(1-ethoxyethenyl)-7H-purine.

Molecular Properties

Compound Name6-(1-ethoxyethenyl)-7H-purine
PubChem CID18670312
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name6-(1-ethoxyethenyl)-7H-purine
SMILESC=C(OCC)c1ncnc2nc[nH]c12
InChIInChI=1S/C9H10N4O/c1-3-14-6(2)7-8-9(12-4-10-7)13-5-11-8/h4-5H,2-3H2,1H3,(H,10,11,12,13)
InChIKeyHYDYYVTVEHATQX-UHFFFAOYSA-N
XLogP1.36
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethyl (Z)-3-amino-2-(7H-purin-6-yl)prop-2-enoate
CID 13486110
diethyl 2-(7H-purin-6-ylsulfanyl)propanedioate
CID 134066807
ethyl 2-amino-2-methyl-3-(7H-purin-6-ylsulfanyl)propanoate
CID 55053300
methanol;7H-purin-6-amine
CID 67194832
ethyl 2-methyl-2-(7H-purin-6-ylsulfanyl)propanoate
CID 756720
ethane;6-ethyl-7H-purine;molecular hydrogen
CID 143569207
butane;6-methyl-7H-purine;molecular hydrogen
CID 176672548
ethyl 2-[propyl(7H-purin-6-yl)amino]acetate
CID 62004761
diethyl (3Z)-2,2-difluoro-3-(7H-purin-6-ylmethylidene)butanedioate
CID 54610925
2-(7H-purin-6-yl)ethanol
CID 53402024
6-tetradecyl-7H-purine
CID 101215358
1-(7H-purin-6-yl)propan-2-ol
CID 174759958

Frequently Asked Questions

What is the IUPAC name of 6-(1-ethoxyethenyl)-7H-purine?
The IUPAC name of 6-(1-ethoxyethenyl)-7H-purine (CID 18670312) is 6-(1-ethoxyethenyl)-7H-purine.
What is the SMILES notation for 6-(1-ethoxyethenyl)-7H-purine?
The canonical SMILES for 6-(1-ethoxyethenyl)-7H-purine is C=C(OCC)c1ncnc2nc[nH]c12.
What is the InChIKey of 6-(1-ethoxyethenyl)-7H-purine?
The InChIKey is HYDYYVTVEHATQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-3-14-6(2)7-8-9(12-4-10-7)13-5-11-8/h4-5H,2-3H2,1H3,(H,10,11,12,13).
What are the key properties of 6-(1-ethoxyethenyl)-7H-purine?
6-(1-ethoxyethenyl)-7H-purine has a molecular weight of 190.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethoxyethenyl)-7H-purine is sourced from PubChem (CID 18670312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).