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CAS 2054922-16-4 Pyrimidine, 2,4-dibromo-6-methyl- molecular structure lightbox
CAS RN: 2054922-16-4

Pyrimidine, 2,4-dibromo-6-methyl-

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260219 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
  • Product code: SSC-096623
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 2054922-16-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

2054922-16-4 / 2,4-dibromo-6-methylpyrimidine

Standard CAS: 2054922-16-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2054922-16-4
Multi CAS
No
Molecular Formula
C5H4Br2N2
Molecular Weight
251.910000
Exact Mass
251.872070
SMILES
CC1=CC(=NC(=N1)Br)Br
InChI
InChI=1S/C5H4Br2N2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKey
LWUKSBFPJGXVEH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
42.17
TPSA
25.78

LogP / Solubility

WLOGP
2.31
MLOGP
2.04
XLogP3
2.7
Consensus LogP
2.35
Log S (ESOL)
-3.35
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.29
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.21
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.62

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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