![CAS 5413-80-9 1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/5413-80-9.gif)
CAS RN: 5413-80-9
1H-Pyrazolo[3,4-d]pyrimidine-4,6-diamine (9CI)
Product Availability
Choose a grade to view its available package options.
4 package records1 with current stock1 grade group
- Product code: SSC-161695
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: 0.1g
- 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 |
|---|---|---|---|---|
| 0.1g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
5413-80-9 / 1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
Basic Information
CAS
5413-80-9
Multi CAS
Yes
Molecular Formula
C5H6N6
Molecular Weight
150.140000
Exact Mass
150.065394
InChI
InChI=1S/C5H6N6/c6-3-2-1-8-11-4(2)10-5(7)9-3/h1H,(H5,6,7,8,9,10,11)
InChIKey
NXSAXOJMBFFHSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
5
H-bond donors
3
Molar refractivity
40.51
TPSA
106.5
LogP / Solubility
WLOGP
-0.48
MLOGP
-0.43
XLogP3
-0.5
Consensus LogP
-0.47
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-0.44
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.24
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.98
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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- CAS RN: 5413-96-7
- Product Code: SSC-161697
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![CAS 5413-96-7 4-chloro-1,6-dimethyl-1H-pyrazolo[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB41080168.gif)
