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

C18H20N6O3 — CID 58285332

IUPAC2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C18H20N6O3/c1-19-14(26)10-24-11-20-16-15(12-3-2-4-13(25)9-12)21-18(22-17(16)24)23-5-7-27-8-6-23/h2-4,9,11,25H,5-8,10H2,1H3,(H,19,26)
InChIKeyRUCZSKKVLUEMJE-UHFFFAOYSA-N
MW368.40 g/mol
LogP0.78
Rot. Bonds4

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

2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide (PubChem CID 58285332) has the molecular formula C18H20N6O3 and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide
PubChem CID58285332
Molecular FormulaC18H20N6O3
Molecular Weight368.40 g/mol
Exact Mass368.16
IUPAC Name2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C18H20N6O3/c1-19-14(26)10-24-11-20-16-15(12-3-2-4-13(25)9-12)21-18(22-17(16)24)23-5-7-27-8-6-23/h2-4,9,11,25H,5-8,10H2,1H3,(H,19,26)
InChIKeyRUCZSKKVLUEMJE-UHFFFAOYSA-N
XLogP0.78
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 50.78
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-methylacetamide?
The IUPAC name of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide (CID 58285332) is 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide.
What is the SMILES notation for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide?
The canonical SMILES for 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide is CNC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide?
The InChIKey is RUCZSKKVLUEMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O3/c1-19-14(26)10-24-11-20-16-15(12-3-2-4-13(25)9-12)21-18(22-17(16)24)23-5-7-27-8-6-23/h2-4,9,11,25H,5-8,10H2,1H3,(H,19,26).
What are the key properties of 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide?
2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]-N-methylacetamide has a molecular weight of 368.40 g/mol, XLogP of 0.78, 4 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-methylacetamide is sourced from PubChem (CID 58285332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).