5-(4-methylpiperazin-1-yl)pyridin-2-amine

CAS No.：

Cat. No.: SC23298

Available on Request

Price on Request

Bulk Inquiry

Product Name :5-(4-methylpiperazin-1-yl)pyridin-2-amine

Cat. No.: :SC23298

Purity / Specification :—

CAS No. :571189-49-6

MDL No. :MFCD10009563

Molecular Formula :C₁₀H₁₆N₄

LogP :0.40

Molecular Weight :192.27

TPSA :45.4

Category :Building Blocks

HSN Code :—

SMILES Code :CN1CCN(c2ccc(N)nc2)CC1

Melting Point :—

InChI Key : :QDMPMBFLXOWHRY-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✓ 192.3 Da

LogP ≤ 5✓ 0.40

HBD ≤ 5✓ 1

HBA ≤ 10✓ 4

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

66/100

Moderate — typical building block

Predicted LogP

0.40log units

Optimal range (0–3)

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 45.4Å² · 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.