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

C20H24N6O3 — CID 25256461

IUPAC2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H24N6O3/c1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25/h3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28)
InChIKeyQKEXXNLAYWXGES-UHFFFAOYSA-N
MW396.45 g/mol
LogP1.56
Rot. Bonds5

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

2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide (PubChem CID 25256461) has the molecular formula C20H24N6O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
PubChem CID25256461
Molecular FormulaC20H24N6O3
Molecular Weight396.45 g/mol
Exact Mass396.19
IUPAC Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H24N6O3/c1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25/h3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28)
InChIKeyQKEXXNLAYWXGES-UHFFFAOYSA-N
XLogP1.56
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 51.56
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-propan-2-ylacetamide?
The IUPAC name of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide (CID 25256461) is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide?
The InChIKey is QKEXXNLAYWXGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O3/c1-13(2)22-16(28)11-26-12-21-18-17(14-4-3-5-15(27)10-14)23-20(24-19(18)26)25-6-8-29-9-7-25/h3-5,10,12-13,27H,6-9,11H2,1-2H3,(H,22,28).
What are the key properties of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide?
2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-propan-2-ylacetamide has a molecular weight of 396.45 g/mol, XLogP of 1.56, 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-propan-2-ylacetamide is sourced from PubChem (CID 25256461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).