1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione

C23H24N4O5 — CID 42862787

IUPAC1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
SMILESCOCCn1c(=O)c2c(ncn2Cc2ccc(OC)cc2)n(-c2ccccc2OC)c1=O
InChIInChI=1S/C23H24N4O5/c1-30-13-12-26-22(28)20-21(27(23(26)29)18-6-4-5-7-19(18)32-3)24-15-25(20)14-16-8-10-17(31-2)11-9-16/h4-11,15H,12-14H2,1-3H3
InChIKeyARSLPCZMHJPKJG-UHFFFAOYSA-N
MW436.47 g/mol
LogP2.06
Rot. Bonds8

About 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione

1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione (PubChem CID 42862787) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
PubChem CID42862787
Molecular FormulaC23H24N4O5
Molecular Weight436.47 g/mol
Exact Mass436.17
IUPAC Name1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione
SMILESCOCCn1c(=O)c2c(ncn2Cc2ccc(OC)cc2)n(-c2ccccc2OC)c1=O
InChIInChI=1S/C23H24N4O5/c1-30-13-12-26-22(28)20-21(27(23(26)29)18-6-4-5-7-19(18)32-3)24-15-25(20)14-16-8-10-17(31-2)11-9-16/h4-11,15H,12-14H2,1-3H3
InChIKeyARSLPCZMHJPKJG-UHFFFAOYSA-N
XLogP2.06
TPSA89.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione with MolForge

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Related Compounds

1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methylphenyl)methyl]purine-2,6-dione
CID 46060955
7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)purine-2,6-dione
CID 46061736
1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione
CID 46163831
1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 46061226
1-butyl-7-[(4-methoxyphenyl)methyl]-3-phenylpurine-2,6-dione
CID 46047381
7-[(2-chlorophenyl)methyl]-1-ethyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 46061745
7-benzyl-1-cyclopentyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 42862792
3-[[1-(2-methoxyethyl)-3-naphthalen-1-yl-2,6-dioxopurin-7-yl]methyl]benzonitrile
CID 42863134
3-(4-fluorophenyl)-1,7-bis[(4-methoxyphenyl)methyl]purine-2,6-dione
CID 46061059
7-benzyl-1-cyclopropyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 42862789
7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(3-methoxyphenyl)purine-2,6-dione
CID 46163703
7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-naphthalen-1-ylpurine-2,6-dione
CID 46163738

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione?
The IUPAC name of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione (CID 42862787) is 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione?
The canonical SMILES for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione is COCCn1c(=O)c2c(ncn2Cc2ccc(OC)cc2)n(-c2ccccc2OC)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione?
The InChIKey is ARSLPCZMHJPKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-30-13-12-26-22(28)20-21(27(23(26)29)18-6-4-5-7-19(18)32-3)24-15-25(20)14-16-8-10-17(31-2)11-9-16/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione?
1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione has a molecular weight of 436.47 g/mol, XLogP of 2.06, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3-(2-methoxyphenyl)-7-[(4-methoxyphenyl)methyl]purine-2,6-dione is sourced from PubChem (CID 42862787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).