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

C24H28N4O5 — CID 46561806

IUPACethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)CC(=O)Nc2cccc(OC)c2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C24H28N4O5/c1-4-33-23(30)21-19(26-24(31)27-22(21)16-9-6-5-7-10-16)14-28(2)15-20(29)25-17-11-8-12-18(13-17)32-3/h5-13,22H,4,14-15H2,1-3H3,(H,25,29)(H2,26,27,31)
InChIKeyYJCZHPHLVFREOF-UHFFFAOYSA-N
MW452.51 g/mol
LogP2.44
Rot. Bonds9

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

ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (PubChem CID 46561806) has the molecular formula C24H28N4O5 and a molecular weight of 452.51 g/mol. Its IUPAC name is ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
PubChem CID46561806
Molecular FormulaC24H28N4O5
Molecular Weight452.51 g/mol
Exact Mass452.21
IUPAC Nameethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
SMILESCCOC(=O)C1=C(CN(C)CC(=O)Nc2cccc(OC)c2)NC(=O)NC1c1ccccc1
InChIInChI=1S/C24H28N4O5/c1-4-33-23(30)21-19(26-24(31)27-22(21)16-9-6-5-7-10-16)14-28(2)15-20(29)25-17-11-8-12-18(13-17)32-3/h5-13,22H,4,14-15H2,1-3H3,(H,25,29)(H2,26,27,31)
InChIKeyYJCZHPHLVFREOF-UHFFFAOYSA-N
XLogP2.44
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]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]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55365235
ethyl 6-[[ethyl-[2-(4-methoxyanilino)-2-oxoethyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24565997
ethyl (4S)-6-[[[2-(dimethylamino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 25481776
ethyl 6-[[benzyl(ethyl)amino]methyl]-4-(3-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46920841
ethyl 4-(4-methoxyphenyl)-6-[(N-methylanilino)methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 18196215
ethyl (4R)-6-[[benzyl(methyl)amino]methyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 51607719
ethyl (4R)-6-[(3-acetamidobenzoyl)oxymethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 41251002
ethyl 6-[[methyl-[(2,3,4-trimethoxyphenyl)methyl]amino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24565642
ethyl (4S)-4-(3-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 691118
ethyl 6-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 24567386
ethyl 6-[[(2,4-difluorophenyl)methyl-methylamino]methyl]-4-(4-methoxyphenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 55542556
ethyl 6-[(3-fluoroanilino)methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 46255787

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The IUPAC name of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate (CID 46561806) is ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is CCOC(=O)C1=C(CN(C)CC(=O)Nc2cccc(OC)c2)NC(=O)NC1c1ccccc1.
What is the InChIKey of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
The InChIKey is YJCZHPHLVFREOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O5/c1-4-33-23(30)21-19(26-24(31)27-22(21)16-9-6-5-7-10-16)14-28(2)15-20(29)25-17-11-8-12-18(13-17)32-3/h5-13,22H,4,14-15H2,1-3H3,(H,25,29)(H2,26,27,31).
What are the key properties of ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate?
ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate has a molecular weight of 452.51 g/mol, XLogP of 2.44, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate is sourced from PubChem (CID 46561806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).