[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate

C21H26N4O6 — CID 75538628

IUPAC[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cnc(N3CCOCC3)nc2COC)cc1
InChIInChI=1S/C21H26N4O6/c1-3-30-16-6-4-15(5-7-16)23-19(26)14-31-20(27)17-12-22-21(24-18(17)13-28-2)25-8-10-29-11-9-25/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,23,26)
InChIKeyRJHRVPUAXXXUHT-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.65
Rot. Bonds9

About [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate

[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate (PubChem CID 75538628) has the molecular formula C21H26N4O6 and a molecular weight of 430.46 g/mol. Its IUPAC name is [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Name[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
PubChem CID75538628
Molecular FormulaC21H26N4O6
Molecular Weight430.46 g/mol
Exact Mass430.19
IUPAC Name[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate
SMILESCCOc1ccc(NC(=O)COC(=O)c2cnc(N3CCOCC3)nc2COC)cc1
InChIInChI=1S/C21H26N4O6/c1-3-30-16-6-4-15(5-7-16)23-19(26)14-31-20(27)17-12-22-21(24-18(17)13-28-2)25-8-10-29-11-9-25/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,23,26)
InChIKeyRJHRVPUAXXXUHT-UHFFFAOYSA-N
XLogP1.65
TPSA112.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(4-fluorophenyl)-4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 75538788
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-hydroxy-5-methoxybenzoate
CID 7404874
ethyl 4-methyl-2-morpholin-4-ylpyrimidine-5-carboxylate
CID 12662938
4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821
4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 53144022
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-ethoxyacetate
CID 2564028
N-(4-ethoxyphenyl)-1-morpholin-4-ylisoquinoline-4-carboxamide
CID 46360297
[2-(4-morpholin-4-ylanilino)-2-oxoethyl] 2-pyrrolidin-1-ylpyridine-3-carboxylate
CID 17419831
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(S)-ethylsulfinyl]benzoate
CID 11916256
N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide
CID 987715
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919
4-methyl-2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 66504043

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
The IUPAC name of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate (CID 75538628) is [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate.
What is the SMILES notation for [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
The canonical SMILES for [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate is CCOc1ccc(NC(=O)COC(=O)c2cnc(N3CCOCC3)nc2COC)cc1.
What is the InChIKey of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
The InChIKey is RJHRVPUAXXXUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O6/c1-3-30-16-6-4-15(5-7-16)23-19(26)14-31-20(27)17-12-22-21(24-18(17)13-28-2)25-8-10-29-11-9-25/h4-7,12H,3,8-11,13-14H2,1-2H3,(H,23,26).
What are the key properties of [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate?
[2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate has a molecular weight of 430.46 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyanilino)-2-oxoethyl] 4-(methoxymethyl)-2-morpholin-4-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 75538628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).