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

C20H24N4O3 — CID 3074108

IUPAC8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
SMILESCCOc1ccc(C=Cc2nc3c(c(=O)n(CC)c(=O)n3CC)n2C)cc1
InChIInChI=1S/C20H24N4O3/c1-5-23-18-17(19(25)24(6-2)20(23)26)22(4)16(21-18)13-10-14-8-11-15(12-9-14)27-7-3/h8-13H,5-7H2,1-4H3
InChIKeyNFTRCEYCKWZRHF-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.51
Rot. Bonds6

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

8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione (PubChem CID 3074108) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione.

Molecular Properties

Compound Name8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
PubChem CID3074108
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione
SMILESCCOc1ccc(C=Cc2nc3c(c(=O)n(CC)c(=O)n3CC)n2C)cc1
InChIInChI=1S/C20H24N4O3/c1-5-23-18-17(19(25)24(6-2)20(23)26)22(4)16(21-18)13-10-14-8-11-15(12-9-14)27-7-3/h8-13H,5-7H2,1-4H3
InChIKeyNFTRCEYCKWZRHF-UHFFFAOYSA-N
XLogP2.51
TPSA71.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
The IUPAC name of 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione (CID 3074108) is 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione.
What is the SMILES notation for 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
The canonical SMILES for 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione is CCOc1ccc(C=Cc2nc3c(c(=O)n(CC)c(=O)n3CC)n2C)cc1.
What is the InChIKey of 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
The InChIKey is NFTRCEYCKWZRHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-5-23-18-17(19(25)24(6-2)20(23)26)22(4)16(21-18)13-10-14-8-11-15(12-9-14)27-7-3/h8-13H,5-7H2,1-4H3.
What are the key properties of 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione?
8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione has a molecular weight of 368.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(4-ethoxyphenyl)ethenyl]-1,3-diethyl-7-methylpurine-2,6-dione is sourced from PubChem (CID 3074108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).