CAS RN: 61667-16-1
N-Benzyl-6-chloro-4-pyrimidinamine
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.20251027 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS61667-16-1
- Purity/Analytical Methods: >99.0%
61667-16-1 / N-benzyl-6-chloropyrimidin-4-amine
Basic Information
CAS
61667-16-1
Multi CAS
No
Molecular Formula
C11H10CLN3
Molecular Weight
219.670000
Exact Mass
219.056325
InChI
InChI=1S/C11H10ClN3/c12-10-6-11(15-8-14-10)13-7-9-4-2-1-3-5-9/h1-6,8H,7H2,(H,13,14,15)
InChIKey
XARFPUIPIOPYGA-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
60.81
TPSA
37.81
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
3
Consensus LogP
2.72
Log S (ESOL)
-3.32
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.34
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.72
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.11
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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