2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide

C23H22N6O3 — CID 58102477

IUPAC2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide
SMILESO=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1
InChIInChI=1S/C23H22N6O3/c30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17/h1-8,13,15,30H,9-12,14H2,(H,25,31)
InChIKeyCCRPVKYOQXILJZ-UHFFFAOYSA-N
MW430.47 g/mol
LogP2.67
Rot. Bonds5

About 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide

2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide (PubChem CID 58102477) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide
PubChem CID58102477
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide
SMILESO=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1
InChIInChI=1S/C23H22N6O3/c30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17/h1-8,13,15,30H,9-12,14H2,(H,25,31)
InChIKeyCCRPVKYOQXILJZ-UHFFFAOYSA-N
XLogP2.67
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide?
The IUPAC name of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide (CID 58102477) is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide?
The canonical SMILES for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide is O=C(Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21)Nc1ccccc1.
What is the InChIKey of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide?
The InChIKey is CCRPVKYOQXILJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-18-8-4-5-16(13-18)20-21-22(27-23(26-20)28-9-11-32-12-10-28)29(15-24-21)14-19(31)25-17-6-2-1-3-7-17/h1-8,13,15,30H,9-12,14H2,(H,25,31).
What are the key properties of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide?
2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide has a molecular weight of 430.47 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-phenylacetamide is sourced from PubChem (CID 58102477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).