CAS RN: 1523618-18-9
6-(Aminomethyl)pyrimidin-4-amine dihydrochloride
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.20250429 | 100mg / 250mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1523618-18-9
- Purity/Analytical Methods: >99.0%
1523618-18-9 / 6-(aminomethyl)pyrimidin-4-amine;dihydrochloride
Basic Information
CAS
1523618-18-9
Multi CAS
No
Molecular Formula
C5H10Cl2N4
Molecular Weight
197.060000
Exact Mass
196.028252
SMILES
C1=C(N=CN=C1N)CN.Cl.Cl
InChI
InChI=1S/C5H8N4.2ClH/c6-2-4-1-5(7)9-3-8-4;;/h1,3H,2,6H2,(H2,7,8,9);2*1H
InChIKey
VAXJTQFQBBDZFQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
48.83
TPSA
77.82
LogP / Solubility
WLOGP
0.36
MLOGP
0.32
XLogP3
0.36
Consensus LogP
0.35
Log S (ESOL)
-1.63
Class (ESOL)
Soluble
Log S (Ali)
-1.44
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.36
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)
-3.67
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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