2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide

C21H28N4O6 — CID 95922797

IUPAC2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1cc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O6/c1-5-14-12-19(24-21(23-14)25-6-8-30-9-7-25)31-13-18(26)22-15-10-16(27-2)20(29-4)17(11-15)28-3/h10-12H,5-9,13H2,1-4H3,(H,22,26)
InChIKeyHXJYMWXEKWCLPI-UHFFFAOYSA-N
MW432.48 g/mol
LogP1.92
Rot. Bonds9

About 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide

2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 95922797) has the molecular formula C21H28N4O6 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID95922797
Molecular FormulaC21H28N4O6
Molecular Weight432.48 g/mol
Exact Mass432.20
IUPAC Name2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide
SMILESCCc1cc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc(N2CCOCC2)n1
InChIInChI=1S/C21H28N4O6/c1-5-14-12-19(24-21(23-14)25-6-8-30-9-7-25)31-13-18(26)22-15-10-16(27-2)20(29-4)17(11-15)28-3/h10-12H,5-9,13H2,1-4H3,(H,22,26)
InChIKeyHXJYMWXEKWCLPI-UHFFFAOYSA-N
XLogP1.92
TPSA104.27 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(1,3-thiazol-2-yl)acetamide
CID 95922781
1-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-3-(3,4,5-trimethoxyphenyl)urea
CID 122320623
N-(4-morpholin-4-ylphenyl)-2-(3,4,5-trimethoxyanilino)acetamide
CID 55362335
1-(6-morpholin-4-ylpyrimidin-4-yl)-3-(3,4,5-trimethoxyphenyl)urea
CID 90544408
N-cyclohexyl-2-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)oxyacetamide
CID 95922640
5-morpholin-4-yl-N-(3,4,5-trimethoxyphenyl)pyrazine-2-carboxamide
CID 109276725
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 135737751
2-[4-(2-morpholin-4-ylacetyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 43039682
3-[(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)amino]-N-(4-methylphenyl)propanamide
CID 134706732
ethyl 2-(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)oxyacetate
CID 4089312
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
[2-oxo-2-(3,4,5-trimethoxyanilino)ethyl] acetate
CID 1252029

Frequently Asked Questions

What is the IUPAC name of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide (CID 95922797) is 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide is CCc1cc(OCC(=O)Nc2cc(OC)c(OC)c(OC)c2)nc(N2CCOCC2)n1.
What is the InChIKey of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is HXJYMWXEKWCLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O6/c1-5-14-12-19(24-21(23-14)25-6-8-30-9-7-25)31-13-18(26)22-15-10-16(27-2)20(29-4)17(11-15)28-3/h10-12H,5-9,13H2,1-4H3,(H,22,26).
What are the key properties of 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide?
2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 432.48 g/mol, XLogP of 1.92, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-ethyl-2-morpholin-4-ylpyrimidin-4-yl)oxy-N-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 95922797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).