2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone

C21H24N6O4 — CID 58102412

IUPAC2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1
InChIInChI=1S/C21H24N6O4/c28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25/h1-3,12,14,28H,4-11,13H2
InChIKeyZSQAAFVQLIATLD-UHFFFAOYSA-N
MW424.46 g/mol
LogP0.89
Rot. Bonds4

About 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone

2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone (PubChem CID 58102412) has the molecular formula C21H24N6O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone
PubChem CID58102412
Molecular FormulaC21H24N6O4
Molecular Weight424.46 g/mol
Exact Mass424.19
IUPAC Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1
InChIInChI=1S/C21H24N6O4/c28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25/h1-3,12,14,28H,4-11,13H2
InChIKeyZSQAAFVQLIATLD-UHFFFAOYSA-N
XLogP0.89
TPSA105.84 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone (CID 58102412) is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone is O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)N1CCOCC1.
What is the InChIKey of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone?
The InChIKey is ZSQAAFVQLIATLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O4/c28-16-3-1-2-15(12-16)18-19-20(24-21(23-18)26-6-10-31-11-7-26)27(14-22-19)13-17(29)25-4-8-30-9-5-25/h1-3,12,14,28H,4-11,13H2.
What are the key properties of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone?
2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone has a molecular weight of 424.46 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 58102412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).