CAS RN: 1246535-95-4
5-(9-isopropyl-2-Morpholino-9H-purin-6-yl)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.20260131 | 1mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1246535-95-4
- Purity/Analytical Methods: >99.0%
1246535-95-4 / 5-(2-morpholin-4-yl-9-propan-2-ylpurin-6-yl)pyrimidin-2-amine
Basic Information
CAS
1246535-95-4
Multi CAS
No
Molecular Formula
C16H20N8O
Molecular Weight
340.380000
Exact Mass
340.176007
SMILES
CC(C)N1C=NC2=C(N=C(N=C21)N3CCOCC3)C4=CN=C(N=C4)N
InChI
InChI=1S/C16H20N8O/c1-10(2)24-9-20-13-12(11-7-18-15(17)19-8-11)21-16(22-14(13)24)23-3-5-25-6-4-23/h7-10H,3-6H2,1-2H3,(H2,17,18,19)
InChIKey
NGDDJJKHNGAOCH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.44
Rotatable bonds
3
H-bond acceptors
9
H-bond donors
1
Molar refractivity
94.18
TPSA
107.87
LogP / Solubility
WLOGP
1.28
MLOGP
1.15
XLogP3
0.4
Consensus LogP
0.94
Log S (ESOL)
-3
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.28
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.3
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.89
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
3
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- CAS RN: 1246548-54-8
- Product Code: starshine_CAS1246548-54-8
- Purity/Analytical method: >99.0%
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