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

C25H30N4O6 — CID 55365235

IUPACethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)CC(=O)Nc2cccc(OC)c2)NC(=O)NC1c1ccc(OC)cc1
InChIInChI=1S/C25H30N4O6/c1-5-35-24(31)22-20(27-25(32)28-23(22)16-9-11-18(33-3)12-10-16)14-29(2)15-21(30)26-17-7-6-8-19(13-17)34-4/h6-13,23H,5,14-15H2,1-4H3,(H,26,30)(H2,27,28,32)
InChIKeyPPSRWSJELSNQMQ-UHFFFAOYSA-N
MW482.54 g/mol
LogP2.45
Rot. Bonds10

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

ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 55365235) has the molecular formula C25H30N4O6 and a molecular weight of 482.54 g/mol. Its IUPAC name is ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID55365235
Molecular FormulaC25H30N4O6
Molecular Weight482.54 g/mol
Exact Mass482.22
IUPAC Nameethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)CC(=O)Nc2cccc(OC)c2)NC(=O)NC1c1ccc(OC)cc1
InChIInChI=1S/C25H30N4O6/c1-5-35-24(31)22-20(27-25(32)28-23(22)16-9-11-18(33-3)12-10-16)14-29(2)15-21(30)26-17-7-6-8-19(13-17)34-4/h6-13,23H,5,14-15H2,1-4H3,(H,26,30)(H2,27,28,32)
InChIKeyPPSRWSJELSNQMQ-UHFFFAOYSA-N
XLogP2.45
TPSA118.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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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-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24565997
ethyl 4-(4-methoxyphenyl)-6-[(N-methylanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18196215
ethyl 4-(4-methoxyphenyl)-6-[[methyl(oxolan-2-ylmethyl)amino]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55828264
ethyl (4S)-6-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25481776
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-[[benzyl(methyl)amino]methyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51607719
ethyl 6-[[benzyl(ethyl)amino]methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920841
methyl 6-ethyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 10755910
[2-(cyclopropylamino)-2-oxoethyl]-[[(4R)-5-ethoxycarbonyl-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]-methylazanium
CID 9053634
ethyl 4-(4-methoxyphenyl)-6-[[4-[(3-methylphenyl)methyl]piperazin-1-yl]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46820662
ethyl 4-(4-methoxyphenyl)-6-(2-methylbutanoyloxymethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55517547

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 55365235) is ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN(C)CC(=O)Nc2cccc(OC)c2)NC(=O)NC1c1ccc(OC)cc1.
What is the InChIKey of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is PPSRWSJELSNQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O6/c1-5-35-24(31)22-20(27-25(32)28-23(22)16-9-11-18(33-3)12-10-16)14-29(2)15-21(30)26-17-7-6-8-19(13-17)34-4/h6-13,23H,5,14-15H2,1-4H3,(H,26,30)(H2,27,28,32).
What are the key properties of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 482.54 g/mol, XLogP of 2.45, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 55365235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).