CAS RN: 53681-51-9
6-AMINO-1-BENZYL-3-METHYL-1H-PYRIMIDINE-2,4-DIONE
Product Availability
Choose a grade to view its available package options.
5 package records3 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250226 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS53681-51-9
- Purity/Analytical Methods: >99.0%
53681-51-9 / 6-amino-1-benzyl-3-methylpyrimidine-2,4-dione
Basic Information
CAS
53681-51-9
Multi CAS
Yes
Molecular Formula
C12H13N3O2
Molecular Weight
231.250000
Exact Mass
231.100777
InChI
InChI=1S/C12H13N3O2/c1-14-11(16)7-10(13)15(12(14)17)8-9-5-3-2-4-6-9/h2-7H,8,13H2,1H3
InChIKey
KXLNUNZSPLVKFM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
65.9
TPSA
70.02
LogP / Solubility
WLOGP
0.18
MLOGP
0.16
XLogP3
0.4
Consensus LogP
0.25
Log S (ESOL)
-1.78
Class (ESOL)
Soluble
Log S (Ali)
-1.58
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.55
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)
-4
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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