1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione

C23H24N4O3 — CID 46061226

IUPAC1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione
SMILESCOCCn1c(=O)c2c(ncn2Cc2ccccc2C)n(-c2ccccc2C)c1=O
InChIInChI=1S/C23H24N4O3/c1-16-8-4-6-10-18(16)14-25-15-24-21-20(25)22(28)26(12-13-30-3)23(29)27(21)19-11-7-5-9-17(19)2/h4-11,15H,12-14H2,1-3H3
InChIKeyGHQKJPNBFFIVCI-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.66
Rot. Bonds6

About 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione

1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione (PubChem CID 46061226) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione
PubChem CID46061226
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione
SMILESCOCCn1c(=O)c2c(ncn2Cc2ccccc2C)n(-c2ccccc2C)c1=O
InChIInChI=1S/C23H24N4O3/c1-16-8-4-6-10-18(16)14-25-15-24-21-20(25)22(28)26(12-13-30-3)23(29)27(21)19-11-7-5-9-17(19)2/h4-11,15H,12-14H2,1-3H3
InChIKeyGHQKJPNBFFIVCI-UHFFFAOYSA-N
XLogP2.66
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione 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

1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione
CID 46163831
7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)purine-2,6-dione
CID 46061736
1-(2-methoxyethyl)-3-(2-methylphenyl)-7-propan-2-ylpurine-2,6-dione
CID 46062133
3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-propan-2-ylpurine-2,6-dione
CID 46047312
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 46060955
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 42862787
7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-naphthalen-1-ylpurine-2,6-dione
CID 46163738
3-(3-chlorophenyl)-7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)purine-2,6-dione
CID 46061674
7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-propan-2-ylpurine-2,6-dione
CID 46047317
7-[(2-fluorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione
CID 42862730
7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione
CID 46163703
1-ethyl-3-(2-methylphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 42853207

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione (CID 46061226) is 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione is COCCn1c(=O)c2c(ncn2Cc2ccccc2C)n(-c2ccccc2C)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione?
The InChIKey is GHQKJPNBFFIVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-16-8-4-6-10-18(16)14-25-15-24-21-20(25)22(28)26(12-13-30-3)23(29)27(21)19-11-7-5-9-17(19)2/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione?
1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione has a molecular weight of 404.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione is sourced from PubChem (CID 46061226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).