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CAS 2908-71-6 4-Pyrimidinamine, 5-(bromomethyl)-2-methyl-, monohydrobromide molecular structure lightbox
CAS RN: 2908-71-6

4-Pyrimidinamine, 5-(bromomethyl)-2-methyl-, monohydrobromide

  • Product code: SSC-131294
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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 2908-71-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Beijing Inquiry

2908-71-6 / 5-(bromomethyl)-2-methylpyrimidin-4-amine;hydrobromide

Standard CAS: 2908-71-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
2908-71-6
Multi CAS
No
Molecular Formula
C6H9BR2N3
Molecular Weight
282.960000
Exact Mass
282.914270
InChI
InChI=1S/C6H8BrN3.BrH/c1-4-9-3-5(2-7)6(8)10-4;/h3H,2H2,1H3,(H2,8,9,10);1H
InChIKey
NZXPJPYPDFCVTK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
54.13
TPSA
51.8

LogP / Solubility

WLOGP
1.84
MLOGP
1.63
XLogP3
1.84
Consensus LogP
1.77
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.21
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.15
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.14

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

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