![CAS 935466-96-9 7H-pyrrolo[2,3-d]pyrimidin-4-ylmethanamine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/935466-96-9.gif)
CAS RN: 935466-96-9
7H-pyrrolo[2,3-d]pyrimidin-4-ylmethanamine hydrochloride
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.20250918 | 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS935466-96-9
- Purity/Analytical Methods: >99.0%
935466-96-9 / 7H-pyrrolo[2,3-d]pyrimidin-4-ylmethanamine;hydrochloride
Basic Information
CAS
935466-96-9
Multi CAS
Yes
Molecular Formula
C7H9CLN4
Molecular Weight
184.620000
Exact Mass
184.051574
InChI
InChI=1S/C7H8N4.ClH/c8-3-6-5-1-2-9-7(5)11-4-10-6;/h1-2,4H,3,8H2,(H,9,10,11);1H
InChIKey
DXZREIOBIMNXBT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
49.03
TPSA
67.59
LogP / Solubility
WLOGP
0.84
MLOGP
0.74
XLogP3
0.84
Consensus LogP
0.81
Log S (ESOL)
-2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.68
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)
-3.25
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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