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CAS RN: 1353973-87-1
1-(2-CyclopropylaMino-6-Methyl-pyriMidin-4-yl)-piperidin-4-ol
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.20250530 | 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1353973-87-1
- Purity/Analytical Methods: >99.0%
1353973-87-1 / 1-[2-(cyclopropylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
Basic Information
CAS
1353973-87-1
Multi CAS
No
Molecular Formula
C13H20N4O
Molecular Weight
248.320000
Exact Mass
248.163711
SMILES
CC1=CC(=NC(=N1)NC2CC2)N3CCC(CC3)O
InChI
InChI=1S/C13H20N4O/c1-9-8-12(17-6-4-11(18)5-7-17)16-13(14-9)15-10-2-3-10/h8,10-11,18H,2-7H2,1H3,(H,14,15,16)
InChIKey
JSBPCBUSZWEUOJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
2
Molar refractivity
70.87
TPSA
61.28
LogP / Solubility
WLOGP
1.32
MLOGP
1.17
XLogP3
1.8
Consensus LogP
1.43
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.55
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.73
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.3
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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