ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate

C19H21N5O4 — CID 58102406

IUPACethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate
SMILESCCOC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H21N5O4/c1-2-28-15(26)11-24-12-20-17-16(13-4-3-5-14(25)10-13)21-19(22-18(17)24)23-6-8-27-9-7-23/h3-5,10,12,25H,2,6-9,11H2,1H3
InChIKeyZTMVWWXPCLFRTC-UHFFFAOYSA-N
MW383.41 g/mol
LogP1.60
Rot. Bonds5

About ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate

ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate (PubChem CID 58102406) has the molecular formula C19H21N5O4 and a molecular weight of 383.41 g/mol. Its IUPAC name is ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate
PubChem CID58102406
Molecular FormulaC19H21N5O4
Molecular Weight383.41 g/mol
Exact Mass383.16
IUPAC Nameethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate
SMILESCCOC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C19H21N5O4/c1-2-28-15(26)11-24-12-20-17-16(13-4-3-5-14(25)10-13)21-19(22-18(17)24)23-6-8-27-9-7-23/h3-5,10,12,25H,2,6-9,11H2,1H3
InChIKeyZTMVWWXPCLFRTC-UHFFFAOYSA-N
XLogP1.60
TPSA102.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate?
The IUPAC name of ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate (CID 58102406) is ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate.
What is the SMILES notation for ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate?
The canonical SMILES for ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate is CCOC(=O)Cn1cnc2c(-c3cccc(O)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate?
The InChIKey is ZTMVWWXPCLFRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O4/c1-2-28-15(26)11-24-12-20-17-16(13-4-3-5-14(25)10-13)21-19(22-18(17)24)23-6-8-27-9-7-23/h3-5,10,12,25H,2,6-9,11H2,1H3.
What are the key properties of ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate?
ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate has a molecular weight of 383.41 g/mol, XLogP of 1.60, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-(3-hydroxyphenyl)-2-morpholin-4-ylpurin-9-yl]acetate is sourced from PubChem (CID 58102406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).