CAS RN: 1185318-56-2
(6-Chloro-pyriMidin-4-yl)-piperidin-4-yl-aMine hydrochloride, 98+% C9H14Cl2N4, MW: 249.14
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.20260312 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185318-56-2
- Purity/Analytical Methods: >99.0%
1185318-56-2 / 6-chloro-N-piperidin-4-ylpyrimidin-4-amine;hydrochloride
(6-Chloro-pyrimidin-4-yl)-piperidin-4-yl-amine hydrochloride | 6-Chloro-N-(piperidin-4-yl)pyrimidin-4-amine hydrochloride | 6-chloro-N-piperidin-4-ylpyrimidin-4-amine;hydrochloride
Basic Information
CAS
1185318-56-2
Multi CAS
No
Molecular Formula
C9H14Cl2N4
Molecular Weight
249.140000
Exact Mass
248.059552
SMILES
C1CNCCC1NC2=CC(=NC=N2)Cl.Cl
InChI
InChI=1S/C9H13ClN4.ClH/c10-8-5-9(13-6-12-8)14-7-1-3-11-4-2-7;/h5-7,11H,1-4H2,(H,12,13,14);1H
InChIKey
HUHJYMAJFRTQOH-UHFFFAOYSA-N
Synonyms
(6-Chloro-pyrimidin-4-yl)-piperidin-4-yl-amine hydrochloride
6-Chloro-N-(piperidin-4-yl)pyrimidin-4-amine hydrochloride
6-chloro-N-piperidin-4-ylpyrimidin-4-amine;hydrochloride
6-chloro-N-(4-piperidyl)pyrimidin-4-amine hydrochloride
DTXSID60671593
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
63.8
TPSA
49.84
LogP / Solubility
WLOGP
1.72
MLOGP
1.52
XLogP3
1.72
Consensus LogP
1.65
Log S (ESOL)
-2.63
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.94
Class (SILICOS-IT)
Moderately 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)
-3.02
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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