CAS RN: 2170605-42-0
2,4-Dimethylpyrimidine-5-boronic acid
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.20250801 | 5mg / 25mg | Out of stock | 5-7 business days | Inquiry |
- Product code: LIND889994
2170605-42-0 / (2,4-dimethylpyrimidin-5-yl)boronic acid
Basic Information
CAS
2170605-42-0
Multi CAS
No
Molecular Formula
C6H9BN2O2
Molecular Weight
151.960000
Exact Mass
152.075708
SMILES
B(C1=CN=C(N=C1C)C)(O)O
InChI
InChI=1S/C6H9BN2O2/c1-4-6(7(10)11)3-8-5(2)9-4/h3,10-11H,1-2H3
InChIKey
YMFQYFJUILYFSC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.33
TPSA
66.24
LogP / Solubility
WLOGP
-1.23
MLOGP
-1.09
XLogP3
-1.23
Consensus LogP
-1.18
Log S (ESOL)
-0.35
Class (ESOL)
Very soluble
Log S (Ali)
0.08
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.25
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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