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CAS 1137576-45-4 2-Chloro-4-bromo-6-methylpyrimidine molecular structure lightbox
CAS RN: 1137576-45-4

2-Chloro-4-bromo-6-methylpyrimidine

  • Product code: SSC-013750
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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 1137576-45-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

1137576-45-4 / 4-bromo-2-chloro-6-methylpyrimidine

4-BROMO-2-CHLORO-6-METHYLPYRIMIDINE | SCHEMBL29267478 | MFCD18250121

Standard CAS: 1137576-45-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1137576-45-4
Multi CAS
No
Molecular Formula
C5H4BrClN2
Molecular Weight
207.450000
Exact Mass
205.924640
SMILES
CC1=CC(=NC(=N1)Cl)Br
InChI
InChI=1S/C5H4BrClN2/c1-3-2-4(6)9-5(7)8-3/h2H,1H3
InChIKey
IAZHWQUUIZLBAW-UHFFFAOYSA-N
Synonyms
4-BROMO-2-CHLORO-6-METHYLPYRIMIDINE SCHEMBL29267478 MFCD18250121 AKOS015946472 AB72373

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
2
Molar refractivity
39.48
TPSA
25.78

LogP / Solubility

WLOGP
2.2
MLOGP
1.94
XLogP3
2.6
Consensus LogP
2.25
Log S (ESOL)
-3.01
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.85
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.84
Class (SILICOS-IT)
Moderately 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)
-2.42

Drug-likeness / Medicinal Chemistry

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

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