8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione

C20H24N4O4 — CID 6448854

IUPAC8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CC)c1=O
InChIInChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)12-15(13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
InChIKeyATDDLHWKZVKABJ-PKNBQFBNSA-N
MW384.44 g/mol
LogP2.12
Rot. Bonds6

About 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione

8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione (PubChem CID 6448854) has the molecular formula C20H24N4O4 and a molecular weight of 384.44 g/mol. Its IUPAC name is 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
PubChem CID6448854
Molecular FormulaC20H24N4O4
Molecular Weight384.44 g/mol
Exact Mass384.18
IUPAC Name8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
SMILESCCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CC)c1=O
InChIInChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)12-15(13)28-5/h8-12H,6-7H2,1-5H3/b11-9+
InChIKeyATDDLHWKZVKABJ-PKNBQFBNSA-N
XLogP2.12
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.44
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
The IUPAC name of 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione (CID 6448854) is 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
The canonical SMILES for 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione is CCn1c(=O)c2c(nc(/C=C/c3ccc(OC)cc3OC)n2C)n(CC)c1=O.
What is the InChIKey of 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
The InChIKey is ATDDLHWKZVKABJ-PKNBQFBNSA-N. The full InChI is InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)12-15(13)28-5/h8-12H,6-7H2,1-5H3/b11-9+.
What are the key properties of 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione has a molecular weight of 384.44 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(E)-2-(2,4-dimethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 6448854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).