![CAS 743442-00-4 6-AMINO-5-[(2-METHOXYETHYL)AMINO]-1-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2141921.gif)
CAS RN: 743442-00-4
6-AMINO-5-[(2-METHOXYETHYL)AMINO]-1-PROPYLPYRIMIDINE-2,4(1H,3H)-DIONE
- Product code: SSC-183793
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 |
743442-00-4 / 6-amino-5-(2-methoxyethylamino)-1-propylpyrimidine-2,4-dione
Basic Information
CAS
743442-00-4
Multi CAS
Yes
Molecular Formula
C10H18N4O3
Molecular Weight
242.280000
Exact Mass
242.137890
InChI
InChI=1S/C10H18N4O3/c1-3-5-14-8(11)7(12-4-6-17-2)9(15)13-10(14)16/h12H,3-6,11H2,1-2H3,(H,13,15,16)
InChIKey
FNKOPJKYVHMAFV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.6
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
3
Molar refractivity
66.39
TPSA
102.14
LogP / Solubility
WLOGP
-0.41
MLOGP
-0.36
XLogP3
-0.3
Consensus LogP
-0.36
Log S (ESOL)
-0.95
Class (ESOL)
Very soluble
Log S (Ali)
-1.25
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.61
Class (SILICOS-IT)
Soluble
ADME
GI absorption
Low
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)
-4.49
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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