CAS RN: 851435-28-4
(2-Chloro-6-methyl-pyrimidin-4-yl)-(5-methyl-3H-pyrazol-3-yl)-amine
- Product code: SSC-193301
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 25g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 25g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
851435-28-4 / 2-chloro-6-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
Basic Information
CAS
851435-28-4
Multi CAS
Yes
Molecular Formula
C9H10CLN5
Molecular Weight
223.660000
Exact Mass
223.062473
InChI
InChI=1S/C9H10ClN5/c1-5-3-7(13-9(10)11-5)12-8-4-6(2)14-15-8/h3-4H,1-2H3,(H2,11,12,13,14,15)
InChIKey
CRJQXLOMFQRQSP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
11
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
58.39
TPSA
66.49
LogP / Solubility
WLOGP
2.21
MLOGP
1.95
XLogP3
2.5
Consensus LogP
2.22
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
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)
-2.51
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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