CAS RN: 672-46-8
4,6-Diamino-2-trifluoromethylpyrimidine
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.20251220 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS672-46-8
- Purity/Analytical Methods: >99.0%
672-46-8 / 2-(trifluoromethyl)pyrimidine-4,6-diamine
Basic Information
CAS
672-46-8
Multi CAS
Yes
Molecular Formula
C5F3H5N4
Molecular Weight
178.120000
Exact Mass
178.046631
InChI
InChI=1S/C5H5F3N4/c6-5(7,8)4-11-2(9)1-3(10)12-4/h1H,(H4,9,10,11,12)
InChIKey
MEHAREFZRGNRJP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.86
TPSA
77.82
LogP / Solubility
WLOGP
0.66
MLOGP
0.58
XLogP3
0.4
Consensus LogP
0.55
Log S (ESOL)
-1.73
Class (ESOL)
Soluble
Log S (Ali)
-1.5
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.37
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)
-3.34
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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