CAS RN: 1185319-47-4
Diethyl-(6-piperazin-1-yl-pyriMidin-4-yl)-aMine hydrochloride, 98+% C12H22ClN5, MW: 271.79
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.20250117 | 100mg / 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185319-47-4
- Purity/Analytical Methods: >99.0%
1185319-47-4 / N,N-diethyl-6-piperazin-1-ylpyrimidin-4-amine;hydrochloride
N,N-Diethyl-6-(piperazin-1-yl)pyrimidin-4-amine hydrochloride | Diethyl-(6-piperazin-1-yl-pyrimidin-4-yl)-amine hydrochloride | N,N-diethyl-6-piperazin-1-ylpyrimidin-4-amine;hydrochloride
Basic Information
CAS
1185319-47-4
Multi CAS
No
Molecular Formula
C12H22ClN5
Molecular Weight
271.790000
Exact Mass
271.156373
SMILES
CCN(CC)C1=NC=NC(=C1)N2CCNCC2.Cl
InChI
InChI=1S/C12H21N5.ClH/c1-3-16(4-2)11-9-12(15-10-14-11)17-7-5-13-6-8-17;/h9-10,13H,3-8H2,1-2H3;1H
InChIKey
SUILTDYOXPIZTJ-UHFFFAOYSA-N
Synonyms
N,N-Diethyl-6-(piperazin-1-yl)pyrimidin-4-amine hydrochloride
Diethyl-(6-piperazin-1-yl-pyrimidin-4-yl)-amine hydrochloride
N,N-diethyl-6-piperazin-1-ylpyrimidin-4-amine;hydrochloride
DTXSID70671807
AKOS015941381
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
77.92
TPSA
44.29
LogP / Solubility
WLOGP
1.15
MLOGP
1.02
XLogP3
1.15
Consensus LogP
1.11
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.62
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.56
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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