CAS RN: 1429056-39-2
5-(Piperazin-1-yl)pyrimidine 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.20250424 | 100mg / 250mg / 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS1429056-39-2
- Purity/Analytical Methods: >99.0%
1429056-39-2 / 5-piperazin-1-ylpyrimidine;hydrochloride
Basic Information
CAS
1429056-39-2
Multi CAS
No
Molecular Formula
C8H13ClN4
Molecular Weight
200.670000
Exact Mass
200.082874
SMILES
C1CN(CCN1)C2=CN=CN=C2.Cl
InChI
InChI=1S/C8H12N4.ClH/c1-3-12(4-2-9-1)8-5-10-7-11-6-8;/h5-7,9H,1-4H2;1H
InChIKey
YBETUEKOSIAOLN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
54.36
TPSA
41.05
LogP / Solubility
WLOGP
0.31
MLOGP
0.27
XLogP3
0.31
Consensus LogP
0.3
Log S (ESOL)
-1.55
Class (ESOL)
Soluble
Log S (Ali)
-1.43
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.34
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)
-3.73
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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