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

C23H24N4O4 — CID 46163831

IUPAC1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione
SMILESCOCCn1c(=O)c2c(ncn2Cc2ccccc2OC)n(-c2ccccc2C)c1=O
InChIInChI=1S/C23H24N4O4/c1-16-8-4-6-10-18(16)27-21-20(22(28)26(23(27)29)12-13-30-2)25(15-24-21)14-17-9-5-7-11-19(17)31-3/h4-11,15H,12-14H2,1-3H3
InChIKeySBJPVLXCKGOCRS-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.36
Rot. Bonds7

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

1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione (PubChem CID 46163831) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione.

Molecular Properties

Compound Name1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione
PubChem CID46163831
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione
SMILESCOCCn1c(=O)c2c(ncn2Cc2ccccc2OC)n(-c2ccccc2C)c1=O
InChIInChI=1S/C23H24N4O4/c1-16-8-4-6-10-18(16)27-21-20(22(28)26(23(27)29)12-13-30-2)25(15-24-21)14-17-9-5-7-11-19(17)31-3/h4-11,15H,12-14H2,1-3H3
InChIKeySBJPVLXCKGOCRS-UHFFFAOYSA-N
XLogP2.36
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(2-methoxyethyl)-3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]purine-2,6-dione
CID 46061226
7-[(2-chlorophenyl)methyl]-1-(2-methoxyethyl)-3-(2-methoxyphenyl)purine-2,6-dione
CID 46061736
7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-propan-2-ylpurine-2,6-dione
CID 46047317
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
1-(2-methoxyethyl)-3-(2-methylphenyl)-7-propan-2-ylpurine-2,6-dione
CID 46062133
7-[(2,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-naphthalen-1-ylpurine-2,6-dione
CID 46163738
7-[(2-chlorophenyl)methyl]-1-ethyl-3-(2-methoxyphenyl)purine-2,6-dione
CID 46061745
3-(2-methylphenyl)-7-[(2-methylphenyl)methyl]-1-propan-2-ylpurine-2,6-dione
CID 46047312
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
2-[[3-(2-methoxyphenyl)-1-(3-methylbutyl)-2,6-dioxopurin-7-yl]methyl]benzonitrile
CID 46062012

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione?
The IUPAC name of 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione (CID 46163831) is 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione.
What is the SMILES notation for 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione?
The canonical SMILES for 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione is COCCn1c(=O)c2c(ncn2Cc2ccccc2OC)n(-c2ccccc2C)c1=O.
What is the InChIKey of 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione?
The InChIKey is SBJPVLXCKGOCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-16-8-4-6-10-18(16)27-21-20(22(28)26(23(27)29)12-13-30-2)25(15-24-21)14-17-9-5-7-11-19(17)31-3/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione?
1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione has a molecular weight of 420.47 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-7-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)purine-2,6-dione is sourced from PubChem (CID 46163831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).