8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine

C23H23N5O3 — CID 175103865

IUPAC8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine
SMILESCCOc1ccc(Nc2ncnc3nc(C=Cc4ccc(OC)c(OC)c4)[nH]c23)cc1
InChIInChI=1S/C23H23N5O3/c1-4-31-17-9-7-16(8-10-17)26-22-21-23(25-14-24-22)28-20(27-21)12-6-15-5-11-18(29-2)19(13-15)30-3/h5-14H,4H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyHUVCXTRIDGWPRV-UHFFFAOYSA-N
MW417.47 g/mol
LogP4.68
Rot. Bonds8

About 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine

8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine (PubChem CID 175103865) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine.

Molecular Properties

Compound Name8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine
PubChem CID175103865
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine
SMILESCCOc1ccc(Nc2ncnc3nc(C=Cc4ccc(OC)c(OC)c4)[nH]c23)cc1
InChIInChI=1S/C23H23N5O3/c1-4-31-17-9-7-16(8-10-17)26-22-21-23(25-14-24-22)28-20(27-21)12-6-15-5-11-18(29-2)19(13-15)30-3/h5-14H,4H2,1-3H3,(H2,24,25,26,27,28)
InChIKeyHUVCXTRIDGWPRV-UHFFFAOYSA-N
XLogP4.68
TPSA94.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine 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-chloro-8-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-7H-purine
CID 155776545
6-chloro-8-[2-(3,4-dimethoxyphenyl)ethenyl]-7H-purine
CID 175095798
4-N-(5-chloro-2,4-dimethoxyphenyl)-6-N-(4-ethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19149250
2-[2-(4-ethoxy-3-methoxyphenyl)ethenyl]-3H-quinazolin-4-one
CID 135413589
N-(3,4-dimethoxyphenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 5102222
2-N-(3,4-dimethoxyphenyl)-4-N-(3-ethoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23536406
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
6-ethoxy-N-(4-methoxyphenyl)-1H-benzimidazol-2-amine
CID 50878343
7,8-dimethoxy-N-(4-propoxyphenyl)quinazolin-4-amine
CID 110434470
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-5,6-dimethyl-1H-benzimidazole-4,7-dione
CID 18431184
4-N-(4-ethoxyphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 19147676
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-5-ethoxy-1-benzofuran-2-carboxamide
CID 126192822

Frequently Asked Questions

What is the IUPAC name of 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine?
The IUPAC name of 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine (CID 175103865) is 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine.
What is the SMILES notation for 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine?
The canonical SMILES for 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine is CCOc1ccc(Nc2ncnc3nc(C=Cc4ccc(OC)c(OC)c4)[nH]c23)cc1.
What is the InChIKey of 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine?
The InChIKey is HUVCXTRIDGWPRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c1-4-31-17-9-7-16(8-10-17)26-22-21-23(25-14-24-22)28-20(27-21)12-6-15-5-11-18(29-2)19(13-15)30-3/h5-14H,4H2,1-3H3,(H2,24,25,26,27,28).
What are the key properties of 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine?
8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine has a molecular weight of 417.47 g/mol, XLogP of 4.68, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(3,4-dimethoxyphenyl)ethenyl]-N-(4-ethoxyphenyl)-7H-purin-6-amine is sourced from PubChem (CID 175103865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).