CAS RN: 13040-89-6
Pyrimidine, 4-amino-5-chloro-6-methyl- (7CI,8CI)
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.20250407 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS13040-89-6
- Purity/Analytical Methods: >99.0%
13040-89-6 / 5-chloro-6-methylpyrimidin-4-amine
Basic Information
CAS
13040-89-6
Multi CAS
No
Molecular Formula
C5H6ClN3
Molecular Weight
143.570000
Exact Mass
143.025025
SMILES
CC1=C(C(=NC=N1)N)Cl
InChI
InChI=1S/C5H6ClN3/c1-3-4(6)5(7)9-2-8-3/h2H,1H3,(H2,7,8,9)
InChIKey
LTRUFLKTFQXHEC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
36.19
TPSA
51.8
LogP / Solubility
WLOGP
1.02
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.94
Log S (ESOL)
-1.87
Class (ESOL)
Soluble
Log S (Ali)
-1.47
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.44
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)
-2.87
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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