CAS RN: 210704-95-3
3-Pyridinemethanamine,6-amino-2-methyl-(9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250612 | 100mg / 250mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: LINP888083
210704-95-3 / 5-(aminomethyl)-6-methylpyridin-2-amine
Basic Information
CAS
210704-95-3
Multi CAS
No
Molecular Formula
C7H11N3
Molecular Weight
137.180000
Exact Mass
137.095297
SMILES
CC1=C(C=CC(=N1)N)CN
InChI
InChI=1S/C7H11N3/c1-5-6(4-8)2-3-7(9)10-5/h2-3H,4,8H2,1H3,(H2,9,10)
InChIKey
XZFYVUSVVAWJGM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
41.28
TPSA
64.93
LogP / Solubility
WLOGP
0.43
MLOGP
0.37
XLogP3
-0.2
Consensus LogP
0.2
Log S (ESOL)
-1.34
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.03
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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