8-(5-ethoxy-2-pyridinyl)-7H-purine

C12H11N5O — CID 167794700

IUPAC8-(5-ethoxy-2-pyridinyl)-7H-purine
SMILESCCOc1ccc(-c2nc3ncncc3[nH]2)nc1
InChIInChI=1S/C12H11N5O/c1-2-18-8-3-4-9(14-5-8)12-16-10-6-13-7-15-11(10)17-12/h3-7H,2H2,1H3,(H,13,15,16,17)
InChIKeyIYJNQPMWVSVMPI-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.81
Rot. Bonds3

About 8-(5-ethoxy-2-pyridinyl)-7H-purine

8-(5-ethoxy-2-pyridinyl)-7H-purine (PubChem CID 167794700) has the molecular formula C12H11N5O and a molecular weight of 241.25 g/mol. Its IUPAC name is 8-(5-ethoxy-2-pyridinyl)-7H-purine.

Molecular Properties

Compound Name8-(5-ethoxy-2-pyridinyl)-7H-purine
PubChem CID167794700
Molecular FormulaC12H11N5O
Molecular Weight241.25 g/mol
Exact Mass241.10
IUPAC Name8-(5-ethoxy-2-pyridinyl)-7H-purine
SMILESCCOc1ccc(-c2nc3ncncc3[nH]2)nc1
InChIInChI=1S/C12H11N5O/c1-2-18-8-3-4-9(14-5-8)12-16-10-6-13-7-15-11(10)17-12/h3-7H,2H2,1H3,(H,13,15,16,17)
InChIKeyIYJNQPMWVSVMPI-UHFFFAOYSA-N
XLogP1.81
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-(5-ethoxy-2-pyridinyl)-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

8-[5-(1,1,2,2,2-pentafluoroethoxy)-2-pyridinyl]-7H-purine
CID 167848282
2-(5-ethoxy-2-pyridinyl)-7-methyl-1H-imidazo[4,5-b]pyridine
CID 167817103
6-(7H-purin-8-yl)pyridine-3-carbonitrile
CID 114402609
8-[5-(trifluoromethyl)-2-pyridinyl]-7H-purine
CID 114909130
2-[3-ethoxy-4-(7H-purin-8-yl)phenoxy]acetonitrile
CID 70491024
8-(ethoxymethyl)-7H-purine
CID 114402549
8-(2,5-dimethoxyphenyl)-7H-purine
CID 114402502
6-(7H-purin-8-yl)pyridin-2-amine
CID 114402104
2-(5-bromo-2-pyridinyl)-5-ethoxy-1H-imidazo[4,5-b]pyridine
CID 79816067
8-(4-methylsulfanylphenyl)-7H-purine
CID 114402617
methyl 2-[4-methoxy-3-(7H-purin-8-yl)phenoxy]acetate
CID 70490048
8-[4-(difluoromethoxy)-2-fluorophenyl]-7H-purine
CID 167823657

Frequently Asked Questions

What is the IUPAC name of 8-(5-ethoxy-2-pyridinyl)-7H-purine?
The IUPAC name of 8-(5-ethoxy-2-pyridinyl)-7H-purine (CID 167794700) is 8-(5-ethoxy-2-pyridinyl)-7H-purine.
What is the SMILES notation for 8-(5-ethoxy-2-pyridinyl)-7H-purine?
The canonical SMILES for 8-(5-ethoxy-2-pyridinyl)-7H-purine is CCOc1ccc(-c2nc3ncncc3[nH]2)nc1.
What is the InChIKey of 8-(5-ethoxy-2-pyridinyl)-7H-purine?
The InChIKey is IYJNQPMWVSVMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O/c1-2-18-8-3-4-9(14-5-8)12-16-10-6-13-7-15-11(10)17-12/h3-7H,2H2,1H3,(H,13,15,16,17).
What are the key properties of 8-(5-ethoxy-2-pyridinyl)-7H-purine?
8-(5-ethoxy-2-pyridinyl)-7H-purine has a molecular weight of 241.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-ethoxy-2-pyridinyl)-7H-purine is sourced from PubChem (CID 167794700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).