Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
56075-75-3 / 6-amino-1-(2-methylpropyl)pyrimidine-2,4-dione
Basic Information
CAS
56075-75-3
Multi CAS
Yes
Molecular Formula
C8H13N3O2
Molecular Weight
183.210000
Exact Mass
183.100777
InChI
InChI=1S/C8H13N3O2/c1-5(2)4-11-6(9)3-7(12)10-8(11)13/h3,5H,4,9H2,1-2H3,(H,10,12,13)
InChIKey
QTAYOSNLQPIPFG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
50.57
TPSA
80.88
LogP / Solubility
WLOGP
-0.23
MLOGP
-0.2
XLogP3
0.1
Consensus LogP
-0.11
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-0.9
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.9
Class (SILICOS-IT)
Very 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)
-4
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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- CAS RN: 56077-78-2
- Product Code: SSC-164043
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