ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate

C20H18N4O3 — CID 109355772

IUPACethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H18N4O3/c1-2-27-20(26)14-8-10-16(11-9-14)24-19(25)17-12-18(22-13-21-17)23-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyUYXAIOGVZIBCTE-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.65
Rot. Bonds6

About ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate

ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate (PubChem CID 109355772) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
PubChem CID109355772
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Nameethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3)ncn2)cc1
InChIInChI=1S/C20H18N4O3/c1-2-27-20(26)14-8-10-16(11-9-14)24-19(25)17-12-18(22-13-21-17)23-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,24,25)(H,21,22,23)
InChIKeyUYXAIOGVZIBCTE-UHFFFAOYSA-N
XLogP3.65
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[[6-(2-ethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357274
ethyl 4-[[6-(2,6-dimethylanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109357110
6-(4-methylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355799
ethyl 4-[(2-anilinopyridine-4-carbonyl)amino]benzoate
CID 109176152
ethyl 4-[[6-(tert-butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109353818
ethyl 4-[[6-[(2-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109346884
ethyl 4-[[6-[(2-methylphenyl)methylcarbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109347005
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109339975
ethyl 4-[[6-(2-methoxyethylcarbamoyl)pyrimidin-4-yl]amino]benzoate
CID 109343078
ethyl 4-[[6-[(2-fluorophenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109348113
ethyl 4-[[6-[(4-methylphenyl)methylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109347370
6-(3,5-dimethylanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355806

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate?
The IUPAC name of ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate (CID 109355772) is ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate is CCOC(=O)c1ccc(NC(=O)c2cc(Nc3ccccc3)ncn2)cc1.
What is the InChIKey of ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate?
The InChIKey is UYXAIOGVZIBCTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-2-27-20(26)14-8-10-16(11-9-14)24-19(25)17-12-18(22-13-21-17)23-15-6-4-3-5-7-15/h3-13H,2H2,1H3,(H,24,25)(H,21,22,23).
What are the key properties of ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate?
ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate has a molecular weight of 362.39 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(6-anilinopyrimidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 109355772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).