CAS RN: 1215072-94-8
4-Amino-2-(4-trifluoromethylphenyl)pyrimidine
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.20250802 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1215072-94-8
- Purity/Analytical Methods: >99.0%
1215072-94-8 / 2-[4-(trifluoromethyl)phenyl]pyrimidin-4-amine
Basic Information
CAS
1215072-94-8
Multi CAS
No
Molecular Formula
C11H8F3N3
Molecular Weight
239.200000
Exact Mass
239.067032
SMILES
C1=CC(=CC=C1C2=NC=CC(=N2)N)C(F)(F)F
InChI
InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-7(2-4-8)10-16-6-5-9(15)17-10/h1-6H,(H2,15,16,17)
InChIKey
WSBKQOFMPKHHDB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.88
TPSA
51.8
LogP / Solubility
WLOGP
2.74
MLOGP
2.42
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.23
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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