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CAS 24343-95-1 5-bromo-2-methylpyrimidin-4-amine molecular structure lightbox
CAS RN: 24343-95-1

5-bromo-2-methylpyrimidin-4-amine

  • Product code: SSC-118585
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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 24343-95-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

24343-95-1 / 5-bromo-2-methylpyrimidin-4-amine

Standard CAS: 24343-95-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
24343-95-1
Multi CAS
No
Molecular Formula
C5H6BrN3
Molecular Weight
188.030000
Exact Mass
186.974510
SMILES
CC1=NC=C(C(=N1)N)Br
InChI
InChI=1S/C5H6BrN3/c1-3-8-2-4(6)5(7)9-3/h2H,1H3,(H2,7,8,9)
InChIKey
DJEJUOJXDWVFID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
38.88
TPSA
51.8

LogP / Solubility

WLOGP
1.13
MLOGP
0.99
XLogP3
0.9
Consensus LogP
1.01
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.92
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.82
Class (SILICOS-IT)
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)
-3.06

Drug-likeness / Medicinal Chemistry

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

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