Ethyl 4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzoate

CAS No.：

Cat. No.: SC251575

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Product Name :Ethyl 4-[2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]benzoate

Cat. No.: :SC251575

Purity / Specification :—

CAS No. :1056634-62-8

MDL No. :—

Molecular Formula :C₂₃H₂₄N₄O₃

LogP :3.70

Molecular Weight :404.47

TPSA :76.6

Category :API Impurities

HSN Code :—

SMILES Code :CCOC(=O)C1=CC=C(C=C1)C2=NC(=NC=C2)NC3=CC=C(C=C3)N4CCOCC4

Melting Point :—

InChI Key : :NPXWSRDMHQCNRM-UHFFFAOYSA-N

Boiling Point :No data available

Application Note

AI Generated

Generated by AI. Verify before use in regulatory documents.

Lipinski & ADMET Properties

Computational estimate

Lipinski Rule of 5

✓ PASS

MW ≤ 500 Da✓ 404.5 Da

LogP ≤ 5✓ 3.70

HBD ≤ 5✓ 1

HBA ≤ 10✓ 7

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

79/100

Good drug-like profile

Predicted LogP

3.70log units

Lipophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS± borderline

TPSA 76.6Å² · Threshold: <60 CNS+ · 60–90 CNS± · >90 CNS−

Requires experimental confirmation.

⚠ These are computational estimates based on Lipinski & Veber physicochemical rules. They are not validated ADMET predictions and must not be used for clinical, regulatory, or safety decisions. For research use only.