![CAS 1417794-02-5 Ethyl-[2-(piperidin-4-ylMethoxy)-pyriMidin-4-yl]-aMine hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417794-02-5.gif)
CAS RN: 1417794-02-5
Ethyl-[2-(piperidin-4-ylMethoxy)-pyriMidin-4-yl]-aMine 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.20250917 | 100mg / 250mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1417794-02-5
- Purity/Analytical Methods: >99.0%
1417794-02-5 / N-ethyl-2-(piperidin-4-ylmethoxy)pyrimidin-4-amine;hydrochloride
Basic Information
CAS
1417794-02-5
Multi CAS
No
Molecular Formula
C12H21ClN4O
Molecular Weight
272.770000
Exact Mass
272.140389
SMILES
CCNC1=NC(=NC=C1)OCC2CCNCC2.Cl
InChI
InChI=1S/C12H20N4O.ClH/c1-2-14-11-5-8-15-12(16-11)17-9-10-3-6-13-7-4-10;/h5,8,10,13H,2-4,6-7,9H2,1H3,(H,14,15,16);1H
InChIKey
ZVBFTQWNAGQREV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
74.53
TPSA
59.07
LogP / Solubility
WLOGP
1.71
MLOGP
1.51
XLogP3
1.71
Consensus LogP
1.64
Log S (ESOL)
-2.52
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.03
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.45
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.17
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 1417794-15-0 {1-[1-(4-Fluoro-benzyl)-1H-benzoiMidazol-2-yl]-piperidin-4-yl}-Methanol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417794-15-0.gif)
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