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

C25H30N4O5 — CID 24565997

IUPACethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(CC)CC(=O)Nc2ccc(OC)cc2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C25H30N4O5/c1-4-29(16-21(30)26-18-11-13-19(33-3)14-12-18)15-20-22(24(31)34-5-2)23(28-25(32)27-20)17-9-7-6-8-10-17/h6-14,23H,4-5,15-16H2,1-3H3,(H,26,30)(H2,27,28,32)
InChIKeyDQLBEXBIIXNJMW-UHFFFAOYSA-N
MW466.54 g/mol
LogP2.83
Rot. Bonds10

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

ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 24565997) has the molecular formula C25H30N4O5 and a molecular weight of 466.54 g/mol. Its IUPAC name is ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID24565997
Molecular FormulaC25H30N4O5
Molecular Weight466.54 g/mol
Exact Mass466.22
IUPAC Nameethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(CC)CC(=O)Nc2ccc(OC)cc2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C25H30N4O5/c1-4-29(16-21(30)26-18-11-13-19(33-3)14-12-18)15-20-22(24(31)34-5-2)23(28-25(32)27-20)17-9-7-6-8-10-17/h6-14,23H,4-5,15-16H2,1-3H3,(H,26,30)(H2,27,28,32)
InChIKeyDQLBEXBIIXNJMW-UHFFFAOYSA-N
XLogP2.83
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Launch Full Analysis

Related Compounds

ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46561806
ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55365235
ethyl 4-(4-methoxyphenyl)-6-[(N-methylanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18196215
ethyl 6-[[benzyl(ethyl)amino]methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920841
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
ethyl (4S)-6-[(N-ethylanilino)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92690788
ethyl (4R)-6-[(N-ethylanilino)methyl]-4-(4-methylphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 92690787
ethyl (4S)-6-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25481776
ethyl (4R)-6-(iodomethyl)-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 1109021
ethyl 4-(4-methoxyphenyl)-6-[[1-(4-methoxyphenyl)ethyl-methylamino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55552321
ethyl (4R)-6-[(2-fluoro-4-methoxybenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41190193
ethyl 4-(4-methoxyphenyl)-6-[(3-methyl-5-phenyl-1,2,4-triazol-1-yl)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 56528676

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 24565997) is ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN(CC)CC(=O)Nc2ccc(OC)cc2)NC(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is DQLBEXBIIXNJMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O5/c1-4-29(16-21(30)26-18-11-13-19(33-3)14-12-18)15-20-22(24(31)34-5-2)23(28-25(32)27-20)17-9-7-6-8-10-17/h6-14,23H,4-5,15-16H2,1-3H3,(H,26,30)(H2,27,28,32).
What are the key properties of ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 466.54 g/mol, XLogP of 2.83, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 24565997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).