CAS RN: 1185312-69-9
1-(4-Chloro-2-pyriMidinyl)-4-piperidinaMine 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.20260316 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185312-69-9
- Purity/Analytical Methods: >99.0%
1185312-69-9 / 1-(4-chloropyrimidin-2-yl)piperidin-4-amine;hydrochloride
1-(4-Chloropyrimidin-2-yl)piperidin-4-amine hydrochloride | 1-(4-Chloro-pyrimidin-2-yl)-piperidin-4-ylamine hydrochloride | 1-(4-chloropyrimidin-2-yl)piperidin-4-amine;hydrochloride
Basic Information
CAS
1185312-69-9
Multi CAS
No
Molecular Formula
C9H14Cl2N4
Molecular Weight
249.140000
Exact Mass
248.059552
SMILES
C1CN(CCC1N)C2=NC=CC(=N2)Cl.Cl
InChI
InChI=1S/C9H13ClN4.ClH/c10-8-1-4-12-9(13-8)14-5-2-7(11)3-6-14;/h1,4,7H,2-3,5-6,11H2;1H
InChIKey
PVYCWGWQEFJLAH-UHFFFAOYSA-N
Synonyms
1-(4-Chloropyrimidin-2-yl)piperidin-4-amine hydrochloride
1-(4-Chloro-pyrimidin-2-yl)-piperidin-4-ylamine hydrochloride
1-(4-chloropyrimidin-2-yl)piperidin-4-amine;hydrochloride
SBB075860
DB-237801
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.56
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.71
TPSA
55.04
LogP / Solubility
WLOGP
1.48
MLOGP
1.31
XLogP3
1.48
Consensus LogP
1.42
Log S (ESOL)
-2.55
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.67
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.63
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)
-3.19
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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