CAS RN: 1213269-26-1
“4-(3-aminophenoxy)-5-chloro-N-(2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)pyrimidin-2-amine”
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.20260304 | 25mg / 100mg / 250mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1213269-26-1
- Purity/Analytical Methods: >99.0%
1213269-26-1 / 4-(3-aminophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
4-(3-aminophenoxy)-5-chloro-n-(2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)pyrimidin-2-amine | CHEMBL4210744 | yl)phenyl)pyrimidin-2-amine
Basic Information
CAS
1213269-26-1
Multi CAS
No
Molecular Formula
C22H25ClN6O2
Molecular Weight
440.900000
Exact Mass
440.172752
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)N)Cl)OC
InChI
InChI=1S/C22H25ClN6O2/c1-28-8-10-29(11-9-28)16-6-7-19(20(13-16)30-2)26-22-25-14-18(23)21(27-22)31-17-5-3-4-15(24)12-17/h3-7,12-14H,8-11,24H2,1-2H3,(H,25,26,27)
InChIKey
AFYVDDVXNBWDRP-UHFFFAOYSA-N
Synonyms
4-(3-aminophenoxy)-5-chloro-n-(2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)pyrimidin-2-amine
CHEMBL4210744
yl)phenyl)pyrimidin-2-amine
4-(3-aminophenoxy)-5-chloro-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]pyrimidin-2-amine
4-(3-aminophenoxy)-5-chloro-N-(2-methoxy-4-(4-methylpiperazin-1-
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
6
H-bond acceptors
8
H-bond donors
2
Molar refractivity
123.96
TPSA
88.77
LogP / Solubility
WLOGP
4.01
MLOGP
3.56
XLogP3
3.8
Consensus LogP
3.79
Log S (ESOL)
-5.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.07
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.57
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.56
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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