CAS RN: 70958-42-8
N2-ethyl-6-chloro-pyrimidine-2,4-diyldiamine
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.20251130 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS70958-42-8
- Purity/Analytical Methods: >99.0%
70958-42-8 / 6-chloro-2-N-ethylpyrimidine-2,4-diamine
Basic Information
CAS
70958-42-8
Multi CAS
No
Molecular Formula
C6H9CLN4
Molecular Weight
172.610000
Exact Mass
172.051574
InChI
InChI=1S/C6H9ClN4/c1-2-9-6-10-4(7)3-5(8)11-6/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKey
DDJZJDDVFAKOPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
45.62
TPSA
63.83
LogP / Solubility
WLOGP
1.14
MLOGP
1
XLogP3
1.5
Consensus LogP
1.21
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.97
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)
-2.96
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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