CAS RN: 38373-55-6
2-Benzylamino-5-bromopyrimidine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260119 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS38373-55-6
- Purity/Analytical Methods: >99.0%
38373-55-6 / N-benzyl-5-bromopyrimidin-2-amine
Basic Information
CAS
38373-55-6
Multi CAS
No
Molecular Formula
BC11H10Rn3
Molecular Weight
264.120000
Exact Mass
263.005810
InChI
InChI=1S/C11H10BrN3/c12-10-7-14-11(15-8-10)13-6-9-4-2-1-3-5-9/h1-5,7-8H,6H2,(H,13,14,15)
InChIKey
SEJMYSXXRMYOGT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
1
Molar refractivity
63.5
TPSA
37.81
LogP / Solubility
WLOGP
2.85
MLOGP
2.52
XLogP3
2.7
Consensus LogP
2.69
Log S (ESOL)
-3.67
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.78
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.1
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
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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