ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

C23H33N5O5 — CID 55354551

IUPACethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)NC(=O)NC1C
InChIInChI=1S/C23H33N5O5/c1-4-27(14-19-21(22(30)33-5-2)16(3)24-23(31)26-19)15-20(29)25-17-6-8-18(9-7-17)28-10-12-32-13-11-28/h6-9,16H,4-5,10-15H2,1-3H3,(H,25,29)(H2,24,26,31)
InChIKeyUFJALJYDMOEBCI-UHFFFAOYSA-N
MW459.55 g/mol
LogP1.30
Rot. Bonds9

About ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate

ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55354551) has the molecular formula C23H33N5O5 and a molecular weight of 459.55 g/mol. Its IUPAC name is ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID55354551
Molecular FormulaC23H33N5O5
Molecular Weight459.55 g/mol
Exact Mass459.25
IUPAC Nameethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)NC(=O)NC1C
InChIInChI=1S/C23H33N5O5/c1-4-27(14-19-21(22(30)33-5-2)16(3)24-23(31)26-19)15-20(29)25-17-6-8-18(9-7-17)28-10-12-32-13-11-28/h6-9,16H,4-5,10-15H2,1-3H3,(H,25,29)(H2,24,26,31)
InChIKeyUFJALJYDMOEBCI-UHFFFAOYSA-N
XLogP1.30
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 51.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24565997
ethyl 4-methyl-6-[[methyl-[(4-piperidin-1-ylphenyl)methyl]amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55432093
2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-ethylamino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 27200195
2-[ethyl(naphthalen-1-ylmethyl)amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 55356704
ethyl (4S)-6-[[[4-(dimethylamino)phenyl]methyl-ethylamino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 40791300
2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 4831881
N-(3,4-difluorophenyl)-3-[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]propanamide
CID 55482803
2-(diethylamino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 51178920
ethyl 3,5-dimethyl-4-[2-[methyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]acetyl]-1H-pyrrole-2-carboxylate
CID 55486925
N-ethyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]cyclopentanecarboxamide
CID 8960463
ethyl (4R)-6-methyl-4-(4-morpholin-4-ylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 40649664
N-ethyl-4-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]pentanamide
CID 51156379

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55354551) is ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN(CC)CC(=O)Nc2ccc(N3CCOCC3)cc2)NC(=O)NC1C.
What is the InChIKey of ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is UFJALJYDMOEBCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O5/c1-4-27(14-19-21(22(30)33-5-2)16(3)24-23(31)26-19)15-20(29)25-17-6-8-18(9-7-17)28-10-12-32-13-11-28/h6-9,16H,4-5,10-15H2,1-3H3,(H,25,29)(H2,24,26,31).
What are the key properties of ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 459.55 g/mol, XLogP of 1.30, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[ethyl-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55354551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).