CAS RN: 81568-09-4
5-Chloro-2-dimethylaminopyrimidine
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.20250819 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS81568-09-4
- Purity/Analytical Methods: >99.0%
81568-09-4 / 5-chloro-N,N-dimethylpyrimidin-2-amine
Basic Information
CAS
81568-09-4
Multi CAS
No
Molecular Formula
C6H8CLN3
Molecular Weight
157.600000
Exact Mass
157.040675
InChI
InChI=1S/C6H8ClN3/c1-10(2)6-8-3-5(7)4-9-6/h3-4H,1-2H3
InChIKey
NAMGQSSLAIYNCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
41.37
TPSA
29.02
LogP / Solubility
WLOGP
1.2
MLOGP
1.05
XLogP3
1.3
Consensus LogP
1.18
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.72
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.8
Class (SILICOS-IT)
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)
-2.83
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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