8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

C20H26N4O3 — CID 17407526

IUPAC8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione
SMILESCCc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CCOC)cc1
InChIInChI=1S/C20H26N4O3/c1-5-14-6-8-15(9-7-14)17-21-18-16(23(17)10-11-27-4)19(25)22-20(26)24(18)12-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,22,25,26)
InChIKeyKVMXLBOQMYQZBP-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.42
Rot. Bonds7

About 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione

8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione (PubChem CID 17407526) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione.

Molecular Properties

Compound Name8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione
PubChem CID17407526
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione
SMILESCCc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CCOC)cc1
InChIInChI=1S/C20H26N4O3/c1-5-14-6-8-15(9-7-14)17-21-18-16(23(17)10-11-27-4)19(25)22-20(26)24(18)12-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,22,25,26)
InChIKeyKVMXLBOQMYQZBP-UHFFFAOYSA-N
XLogP2.42
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[7-(2-methoxyethyl)-3-(2-methylpropyl)-2,6-dioxopurin-8-yl]benzonitrile
CID 4792250
7-(2-methoxyethyl)-8-(4-methoxy-3-methylphenyl)-3-propylpurine-2,6-dione
CID 17433874
8-[5-(2-bromophenyl)furan-2-yl]-3,7-bis(2-methylpropyl)purine-2,6-dione
CID 3922051
8-(chloromethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465458
8-(aminomethyl)-7-ethyl-3-(2-methoxyethyl)purine-2,6-dione
CID 82465449
3-benzyl-8-(4-ethylphenyl)-7-[[(2S)-oxolan-2-yl]methyl]purine-2,6-dione
CID 41083551
3-benzyl-8-(4-ethylphenyl)-7-[[(2R)-oxolan-2-yl]methyl]purine-2,6-dione
CID 41083552
7-ethyl-8-(ethylamino)-3-(2-methoxyethyl)purine-2,6-dione
CID 82465455
4-(3-benzyl-2,6-dioxo-7-propylpurin-8-yl)benzonitrile
CID 4878838
3-butyl-7-ethyl-8-(4-nitrophenyl)purine-2,6-dione
CID 3879767
8-(1-chloroethyl)-7-methyl-3-(2-methylpropyl)purine-2,6-dione
CID 102549471
7-benzyl-8-cyclopentyl-3-(2-methoxyethyl)purine-2,6-dione
CID 19699213

Frequently Asked Questions

What is the IUPAC name of 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione?
The IUPAC name of 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione (CID 17407526) is 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione.
What is the SMILES notation for 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione?
The canonical SMILES for 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione is CCc1ccc(-c2nc3c(c(=O)[nH]c(=O)n3CC(C)C)n2CCOC)cc1.
What is the InChIKey of 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione?
The InChIKey is KVMXLBOQMYQZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-5-14-6-8-15(9-7-14)17-21-18-16(23(17)10-11-27-4)19(25)22-20(26)24(18)12-13(2)3/h6-9,13H,5,10-12H2,1-4H3,(H,22,25,26).
What are the key properties of 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione?
8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione has a molecular weight of 370.45 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-ethylphenyl)-7-(2-methoxyethyl)-3-(2-methylpropyl)purine-2,6-dione is sourced from PubChem (CID 17407526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).