8-(2,4-dimethoxyphenyl)-7H-purine

C13H12N4O2 — CID 3059912

IUPAC8-(2,4-dimethoxyphenyl)-7H-purine
SMILESCOc1ccc(-c2nc3ncncc3[nH]2)c(OC)c1
InChIInChI=1S/C13H12N4O2/c1-18-8-3-4-9(11(5-8)19-2)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyXOZCJKUFAQFZGZ-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.04
Rot. Bonds3

About 8-(2,4-dimethoxyphenyl)-7H-purine

8-(2,4-dimethoxyphenyl)-7H-purine (PubChem CID 3059912) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 8-(2,4-dimethoxyphenyl)-7H-purine.

Molecular Properties

Compound Name8-(2,4-dimethoxyphenyl)-7H-purine
PubChem CID3059912
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name8-(2,4-dimethoxyphenyl)-7H-purine
SMILESCOc1ccc(-c2nc3ncncc3[nH]2)c(OC)c1
InChIInChI=1S/C13H12N4O2/c1-18-8-3-4-9(11(5-8)19-2)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17)
InChIKeyXOZCJKUFAQFZGZ-UHFFFAOYSA-N
XLogP2.04
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(2,4-dimethoxyphenyl)-7H-purine?
The IUPAC name of 8-(2,4-dimethoxyphenyl)-7H-purine (CID 3059912) is 8-(2,4-dimethoxyphenyl)-7H-purine.
What is the SMILES notation for 8-(2,4-dimethoxyphenyl)-7H-purine?
The canonical SMILES for 8-(2,4-dimethoxyphenyl)-7H-purine is COc1ccc(-c2nc3ncncc3[nH]2)c(OC)c1.
What is the InChIKey of 8-(2,4-dimethoxyphenyl)-7H-purine?
The InChIKey is XOZCJKUFAQFZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-18-8-3-4-9(11(5-8)19-2)12-16-10-6-14-7-15-13(10)17-12/h3-7H,1-2H3,(H,14,15,16,17).
What are the key properties of 8-(2,4-dimethoxyphenyl)-7H-purine?
8-(2,4-dimethoxyphenyl)-7H-purine has a molecular weight of 256.26 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,4-dimethoxyphenyl)-7H-purine is sourced from PubChem (CID 3059912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).