6-[4-(2-methoxyethoxy)phenyl]-7H-purine

C14H14N4O2 — CID 122559987

IUPAC6-[4-(2-methoxyethoxy)phenyl]-7H-purine
SMILESCOCCOc1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4O2/c1-19-6-7-20-11-4-2-10(3-5-11)12-13-14(17-8-15-12)18-9-16-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyLJDKJJRRXAIUKQ-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.05
Rot. Bonds5

About 6-[4-(2-methoxyethoxy)phenyl]-7H-purine

6-[4-(2-methoxyethoxy)phenyl]-7H-purine (PubChem CID 122559987) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-[4-(2-methoxyethoxy)phenyl]-7H-purine.

Molecular Properties

Compound Name6-[4-(2-methoxyethoxy)phenyl]-7H-purine
PubChem CID122559987
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name6-[4-(2-methoxyethoxy)phenyl]-7H-purine
SMILESCOCCOc1ccc(-c2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C14H14N4O2/c1-19-6-7-20-11-4-2-10(3-5-11)12-13-14(17-8-15-12)18-9-16-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17,18)
InChIKeyLJDKJJRRXAIUKQ-UHFFFAOYSA-N
XLogP2.05
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[4-(2-methoxyethoxy)phenyl]-7H-purine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
CID 15527163
6-[4-(trifluoromethyl)phenyl]-7H-purine
CID 154460741
[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
CID 96602690
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
1-(2-methoxyethoxy)-4-phenylbenzene
CID 20582782
N-ethyl-6-(4-methoxyphenyl)-7H-purin-2-amine
CID 123670391
3-(7H-purin-6-yl)aniline
CID 71426821
3-[4-[5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazin-3-yl]phenyl]-5,6-bis[4-(2-methoxyethoxy)phenyl]-1,2,4-triazine;methane
CID 159687313
1-chloro-4-[4-[4-(2-methoxyethoxy)phenyl]phenyl]benzene
CID 71108634
(2Z)-4,4-dimethyl-3-oxo-2-[[4-(7H-purin-6-yl)phenyl]methylidene]pentanenitrile
CID 52938772
4-[6-(2-methoxyethoxy)pteridin-4-yl]-N,N-dimethylaniline
CID 70676084
6-[4-(2-methoxyethoxy)phenyl]-2-methyl-1H-imidazo[4,5-b]pyridine
CID 72927700

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethoxy)phenyl]-7H-purine?
The IUPAC name of 6-[4-(2-methoxyethoxy)phenyl]-7H-purine (CID 122559987) is 6-[4-(2-methoxyethoxy)phenyl]-7H-purine.
What is the SMILES notation for 6-[4-(2-methoxyethoxy)phenyl]-7H-purine?
The canonical SMILES for 6-[4-(2-methoxyethoxy)phenyl]-7H-purine is COCCOc1ccc(-c2ncnc3nc[nH]c23)cc1.
What is the InChIKey of 6-[4-(2-methoxyethoxy)phenyl]-7H-purine?
The InChIKey is LJDKJJRRXAIUKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-6-7-20-11-4-2-10(3-5-11)12-13-14(17-8-15-12)18-9-16-13/h2-5,8-9H,6-7H2,1H3,(H,15,16,17,18).
What are the key properties of 6-[4-(2-methoxyethoxy)phenyl]-7H-purine?
6-[4-(2-methoxyethoxy)phenyl]-7H-purine has a molecular weight of 270.29 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethoxy)phenyl]-7H-purine is sourced from PubChem (CID 122559987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).