CAS RN: 1805131-89-8
5-Trifluoromethyl-pyrimidin-4-ylamine
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.20251223 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1805131-89-8
- Purity/Analytical Methods: >99.0%
1805131-89-8 / 5-(trifluoromethyl)pyrimidin-4-amine
Basic Information
CAS
1805131-89-8
Multi CAS
No
Molecular Formula
C5H4F3N3
Molecular Weight
163.100000
Exact Mass
163.035732
SMILES
C1=C(C(=NC=N1)N)C(F)(F)F
InChI
InChI=1S/C5H4F3N3/c6-5(7,8)3-1-10-2-11-4(3)9/h1-2H,(H2,9,10,11)
InChIKey
IKDGVYUCQYXEPZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.45
TPSA
51.8
LogP / Solubility
WLOGP
1.08
MLOGP
0.94
XLogP3
0.7
Consensus LogP
0.91
Log S (ESOL)
-1.93
Class (ESOL)
Soluble
Log S (Ali)
-1.68
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
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)
-2.95
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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