CAS RN: 1785764-26-2
5,6-Diamino-1,3-diethyluracil Hydrochloride
- Product code: SSC-079489
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: 5g
- Available purity: ≥97%
- 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 |
|---|---|---|---|---|
| 5g | ≥97% | 0 Out of Stock | Hong Kong | Inquiry |
1785764-26-2 / 5,6-diamino-1,3-diethylpyrimidine-2,4-dione;hydrochloride
Basic Information
CAS
1785764-26-2
Multi CAS
No
Molecular Formula
C8H15ClN4O2
Molecular Weight
234.680000
Exact Mass
234.088353
SMILES
CCN1C(=C(C(=O)N(C1=O)CC)N)N.Cl
InChI
InChI=1S/C8H14N4O2.ClH/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14;/h3-4,9-10H2,1-2H3;1H
InChIKey
UQWLJOFXKBZWCI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
62.38
TPSA
96.04
LogP / Solubility
WLOGP
-0.36
MLOGP
-0.32
XLogP3
-0.36
Consensus LogP
-0.35
Log S (ESOL)
-1.23
Class (ESOL)
Soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.12
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)
-4.41
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364
