CAS RN: 1185320-13-1
N,N-DiMethyl-N’-piperidin-4-yl-pyriMidine-4,6-diaMine hydrochloride, 98+% C11H20ClN5, MW: 257.76
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.20251015 | 500mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1185320-13-1
- Purity/Analytical Methods: >99.0%
1185320-13-1 / 4-N,4-N-dimethyl-6-N-piperidin-4-ylpyrimidine-4,6-diamine;hydrochloride
N4,N4-dimethyl-N6-(piperidin-4-yl)pyrimidine-4,6-diamine hydrochloride | 4-N,4-N-dimethyl-6-N-piperidin-4-ylpyrimidine-4,6-diamine;hydrochloride | DTXSID90671607
Basic Information
CAS
1185320-13-1
Multi CAS
No
Molecular Formula
C11H20ClN5
Molecular Weight
257.760000
Exact Mass
257.140723
SMILES
CN(C)C1=NC=NC(=C1)NC2CCNCC2.Cl
InChI
InChI=1S/C11H19N5.ClH/c1-16(2)11-7-10(13-8-14-11)15-9-3-5-12-6-4-9;/h7-9,12H,3-6H2,1-2H3,(H,13,14,15);1H
InChIKey
MUYDOGMGYREYKO-UHFFFAOYSA-N
Synonyms
N4,N4-dimethyl-N6-(piperidin-4-yl)pyrimidine-4,6-diamine hydrochloride
4-N,4-N-dimethyl-6-N-piperidin-4-ylpyrimidine-4,6-diamine;hydrochloride
DTXSID90671607
MFCD12547735
N4,N4-Dimethyl-N6-(piperidin-4-yl)pyrimidine-4,6-diaminehydrochloride
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.64
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
73.12
TPSA
53.08
LogP / Solubility
WLOGP
1.13
MLOGP
1
XLogP3
1.13
Consensus LogP
1.09
Log S (ESOL)
-2.21
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.49
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.49
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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