1,6-dimethylpyrimidine-2,4-dione

CAS No.：

Cat. No.: SC251079

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Product Name :1,6-dimethylpyrimidine-2,4-dione

Cat. No.: :SC251079

Purity / Specification :—

CAS No. :1627-27-6

MDL No. :MFCD0045672

Molecular Formula :C₆H₁₀N₂O₂

LogP :-0.40

Molecular Weight :142.16

TPSA :49.4

Category :Building Blocks

HSN Code :—

SMILES Code :CC1C=C(O)N=C(O)N1C

Melting Point :—

InChI Key : :HFPUWKAHALXNCY-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✓ 142.2 Da

LogP ≤ 5✓ -0.40

HBD ≤ 5✓ 1

HBA ≤ 10✓ 2

Max 1 violation allowed for oral bioavailability.

Drug-likeness Score

53/100

Fragment / low drug-likeness

Predicted LogP

-0.40log units

Hydrophilic

CNS Permeability

Clark model · J Pharm Sci, 1999

CNS+ likely

TPSA 49.4Å² · 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.