CAS RN: 53681-49-5
6-AMINO-1-BUTYL-1H-PYRIMIDINE-2,4-DIONE
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250201 | 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS53681-49-5
- Purity/Analytical Methods: >99.0%
53681-49-5 / 6-amino-1-butylpyrimidine-2,4-dione
Basic Information
CAS
53681-49-5
Multi CAS
Yes
Molecular Formula
C8H13N3O2
Molecular Weight
183.210000
Exact Mass
183.100777
InChI
InChI=1S/C8H13N3O2/c1-2-3-4-11-6(9)5-7(12)10-8(11)13/h5H,2-4,9H2,1H3,(H,10,12,13)
InChIKey
MKBLKULBTBPLRX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.64
TPSA
80.88
LogP / Solubility
WLOGP
-0.08
MLOGP
-0.07
Consensus LogP
-0.05
Log S (ESOL)
-1.07
Class (ESOL)
Soluble
Log S (Ali)
-1
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.14
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.9
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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