CAS RN: 45715-16-0
2-Pyrimidinamine, 5-chloro-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.20251009 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS45715-16-0
- Purity/Analytical Methods: >99.0%
45715-16-0 / 5-chloro-N-methylpyrimidin-2-amine
Basic Information
CAS
45715-16-0
Multi CAS
No
Molecular Formula
C5H6CLN3
Molecular Weight
143.570000
Exact Mass
143.025025
InChI
InChI=1S/C5H6ClN3/c1-7-5-8-2-4(6)3-9-5/h2-3H,1H3,(H,7,8,9)
InChIKey
HJQRIUZBLSDIAJ-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
36.59
TPSA
37.81
LogP / Solubility
WLOGP
1.17
MLOGP
1.02
XLogP3
1.1
Consensus LogP
1.1
Log S (ESOL)
-1.9
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.69
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)
-2.76
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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