CAS RN: 163082-52-8
2-Pyrimidinamine, 5-fluoro-N-methyl- (9CI)
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.20250104 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS163082-52-8
- Purity/Analytical Methods: >99.0%
163082-52-8 / 5-fluoro-N-methylpyrimidin-2-amine
Basic Information
CAS
163082-52-8
Multi CAS
No
Molecular Formula
C5H6FN3
Molecular Weight
127.120000
Exact Mass
127.054575
SMILES
CNC1=NC=C(C=N1)F
InChI
InChI=1S/C5H6FN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
DNPBNIAEPZLPGJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.54
TPSA
37.81
LogP / Solubility
WLOGP
0.66
MLOGP
0.57
XLogP3
0.6
Consensus LogP
0.61
Log S (ESOL)
-1.47
Class (ESOL)
Soluble
Log S (Ali)
-1.08
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.15
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)
-3.03
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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