CAS RN: 14445-57-9
2,4-DiMethoxypyriMidine-5-carbonitrile
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260609 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS14445-57-9
- Purity/Analytical Methods: >99.0%
14445-57-9 / 2,4-dimethoxypyrimidine-5-carbonitrile
Basic Information
CAS
14445-57-9
Multi CAS
No
Molecular Formula
C7H7N3O2
Molecular Weight
165.150000
Exact Mass
165.053826
SMILES
COC1=NC(=NC=C1C#N)OC
InChI
InChI=1S/C7H7N3O2/c1-11-6-5(3-8)4-9-7(10-6)12-2/h4H,1-2H3
InChIKey
AGJATLRDZXCNDV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
39.85
TPSA
68.03
LogP / Solubility
WLOGP
0.37
MLOGP
0.32
XLogP3
0.5
Consensus LogP
0.4
Log S (ESOL)
-1.33
Class (ESOL)
Soluble
Log S (Ali)
-1.18
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.28
Class (SILICOS-IT)
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)
-3.47
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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