CAS RN: 1017464-05-9
4-Methyl-2-(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 | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250503 | 25mg / 100mg / 1g | Confirm by inquiry | Shandong | 5-7 business days | Inquiry |
- Product code: SSC-002720
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1017464-05-9 / 4-methyl-2-(trifluoromethyl)pyrimidine
4-methyl-2-(trifluoromethyl)pyrimidine | MFCD09881360 | Pyrimidine, 4-methyl-2-(trifluoromethyl)-
Basic Information
CAS
1017464-05-9
Multi CAS
No
Molecular Formula
C6H5F3N2
Molecular Weight
162.110000
Exact Mass
162.040483
SMILES
CC1=NC(=NC=C1)C(F)(F)F
InChI
InChI=1S/C6H5F3N2/c1-4-2-3-10-5(11-4)6(7,8)9/h2-3H,1H3
InChIKey
JHOQVQSTUMAGNQ-UHFFFAOYSA-N
Synonyms
4-methyl-2-(trifluoromethyl)pyrimidine
MFCD09881360
Pyrimidine, 4-methyl-2-(trifluoromethyl)-
SCHEMBL789821
SCHEMBL791313
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.33
H-bond acceptors
2
Molar refractivity
31.77
TPSA
25.78
LogP / Solubility
WLOGP
1.8
MLOGP
1.58
XLogP3
1.5
Consensus LogP
1.63
Log S (ESOL)
-2.39
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.19
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.21
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)
-2.43
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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