CAS RN: 1383716-40-2
PIK-III
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9 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260402 | 100mg | Out of stock | Inquiry | ||
| Batchno.20260123 | 1g | Out of stock | Inquiry | ||
| Batchno.20260404 | 1mg | In stock | Shanghai | Inquiry | |
| Batchno.20250307 | 250mg | Out of stock | Inquiry | ||
| Batchno.20250402 | 25mg | Out of stock | Inquiry | ||
| Batchno.20250927 | 2mg | In stock | Shanghai | Inquiry | |
| Batchno.20250915 | 50mg | Out of stock | Inquiry |
- Product code: starshine_CAS1383716-40-2
- Purity/Analytical Methods: >99.0%
1383716-40-2 / 4-(cyclopropylmethyl)-5-[2-(pyridin-4-ylamino)pyrimidin-4-yl]pyrimidin-2-amine
Basic Information
CAS
1383716-40-2
Multi CAS
No
Molecular Formula
C17H17N7
Molecular Weight
319.400000
Exact Mass
319.154544
SMILES
C1CC1CC2=NC(=NC=C2C3=NC(=NC=C3)NC4=CC=NC=C4)N
InChI
InChI=1S/C17H17N7/c18-16-21-10-13(15(23-16)9-11-1-2-11)14-5-8-20-17(24-14)22-12-3-6-19-7-4-12/h3-8,10-11H,1-2,9H2,(H2,18,21,23)(H,19,20,22,24)
InChIKey
XXSDLQLNIVFIJI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
24
Aromatic heavy atom count
18
Fraction Csp3
0.24
Rotatable bonds
5
H-bond acceptors
7
H-bond donors
2
Molar refractivity
91.42
TPSA
102.5
LogP / Solubility
WLOGP
2.61
MLOGP
2.31
XLogP3
2
Consensus LogP
2.31
Log S (ESOL)
-3.69
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.06
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.5
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-2.82
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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