CAS RN: 176214-14-5
2-Methoxy-5-trifluoromethyl-pyrimidine
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.20250322 | 250mg / 1g / 5g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS176214-14-5
- Purity/Analytical Methods: >99.0%
176214-14-5 / 2-methoxy-5-(trifluoromethyl)pyrimidine
Basic Information
CAS
176214-14-5
Multi CAS
No
Molecular Formula
C6H5F3N2O
Molecular Weight
178.110000
Exact Mass
178.035397
SMILES
COC1=NC=C(C=N1)C(F)(F)F
InChI
InChI=1S/C6H5F3N2O/c1-12-5-10-2-4(3-11-5)6(7,8)9/h2-3H,1H3
InChIKey
JQUJIMFLPIMCIS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
33.59
TPSA
35.01
LogP / Solubility
WLOGP
1.5
MLOGP
1.32
XLogP3
1.4
Consensus LogP
1.41
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.11
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.19
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)
-2.74
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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