CAS RN: 1333319-66-6
6-bromo-2-chloropyrimidin-4-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.20260404 | 50mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LINB888020
1333319-66-6 / 6-bromo-2-chloropyrimidin-4-amine
Basic Information
CAS
1333319-66-6
Multi CAS
No
Molecular Formula
C4H3BrClN3
Molecular Weight
208.440000
Exact Mass
206.919890
SMILES
C1=C(N=C(N=C1Br)Cl)N
InChI
InChI=1S/C4H3BrClN3/c5-2-1-3(7)9-4(6)8-2/h1H,(H2,7,8,9)
InChIKey
GTUDVQHLUXUALJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.15
TPSA
51.8
LogP / Solubility
WLOGP
1.47
MLOGP
1.3
XLogP3
1.8
Consensus LogP
1.52
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.33
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.24
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)
-2.94
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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