3-methylpyrazin-2-amine

CAS No.：

Cat. No.: SC261792

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Product Name :3-methylpyrazin-2-amine

Cat. No.: :SC261792

Purity / Specification :—

CAS No. :19838-08-5

MDL No. :MFCD08705770

Molecular Formula :C₅H₇N₃

LogP :-0.20

Molecular Weight :109.13

TPSA :51.8

Category :CDMO

HSN Code :—

SMILES Code :Cc1nccnc1N

Melting Point :—

InChI Key : :VQPHZDDLWFHRHR-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✓ 109.1 Da

LogP ≤ 5✓ -0.20

HBD ≤ 5✓ 1

HBA ≤ 10✓ 3

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

54/100

Fragment / low drug-likeness

Predicted LogP

-0.20log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 51.8Å² · 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.