CAS RN: 42783-58-4
5-(BENZYLOXY)PYRIMIDIN-2-AMINE
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.20251119 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS42783-58-4
- Purity/Analytical Methods: >99.0%
42783-58-4 / 5-phenylmethoxypyrimidin-2-amine
Basic Information
CAS
42783-58-4
Multi CAS
No
Molecular Formula
C11H11N3O
Molecular Weight
201.220000
Exact Mass
201.090212
InChI
InChI=1S/C11H11N3O/c12-11-13-6-10(7-14-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14)
InChIKey
BRIAQLVXVQRDLK-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
4
H-bond donors
1
Molar refractivity
57.22
TPSA
61.03
LogP / Solubility
WLOGP
1.64
MLOGP
1.44
XLogP3
1.3
Consensus LogP
1.46
Log S (ESOL)
-2.51
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.78
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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