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CAS RN: 1353955-17-5
(6-Ethoxy-pyriMidin-4-yl)-Methyl-piperidin-3-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.20250407 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353955-17-5
- Purity/Analytical Methods: >99.0%
1353955-17-5 / 6-ethoxy-N-methyl-N-piperidin-3-ylpyrimidin-4-amine;hydrochloride
Basic Information
CAS
1353955-17-5
Multi CAS
No
Molecular Formula
C12H21ClN4O
Molecular Weight
272.770000
Exact Mass
272.140389
SMILES
CCOC1=NC=NC(=C1)N(C)C2CCCNC2.Cl
InChI
InChI=1S/C12H20N4O.ClH/c1-3-17-12-7-11(14-9-15-12)16(2)10-5-4-6-13-8-10;/h7,9-10,13H,3-6,8H2,1-2H3;1H
InChIKey
IJADJMZHOXXZNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.67
Rotatable bonds
4
H-bond acceptors
5
H-bond donors
1
Molar refractivity
74.74
TPSA
50.28
LogP / Solubility
WLOGP
1.49
MLOGP
1.32
XLogP3
1.49
Consensus LogP
1.43
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.15
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)
-3.33
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2
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