CAS RN: 102783-18-6
4,5-DIAMINO-6-HYDROXYPYRIMIDINE HEMISULFATE
- Product code: SSC-004132
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 | Shenzhen | Inquiry |
102783-18-6 / bis(4,5-diamino-1H-pyrimidin-6-one);sulfuric acid
DTXSID80585123 | Sulfuric acid--5,6-diaminopyrimidin-4(1H)-one (1/2) | RefChem:382695
Basic Information
CAS
102783-18-6
Multi CAS
Yes
Molecular Formula
C8H14N8O6S
Molecular Weight
350.320000
Exact Mass
350.075701
SMILES
C1=NC(=C(C(=O)N1)N)N.C1=NC(=C(C(=O)N1)N)N.OS(=O)(=O)O
InChI
InChI=1S/2C4H6N4O.H2O4S/c2*5-2-3(6)7-1-8-4(2)9;1-5(2,3)4/h2*1H,5H2,(H3,6,7,8,9);(H2,1,2,3,4)
InChIKey
SVJZVGHPJPXEJQ-UHFFFAOYSA-N
Synonyms
DTXSID80585123
Sulfuric acid--5,6-diaminopyrimidin-4(1H)-one (1/2)
RefChem:382695
DTXCID60535888
5,6-Diaminopyrimidin-4(3H)-one sulfate(2:1)
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
12
H-bond acceptors
10
H-bond donors
8
Molar refractivity
81.54
TPSA
270.18
LogP / Solubility
WLOGP
-2.78
MLOGP
-2.43
XLogP3
-2.78
Consensus LogP
-2.66
Log S (ESOL)
-0.64
Class (ESOL)
Very soluble
Log S (Ali)
-0.42
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.37
Class (SILICOS-IT)
Highly 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)
-6.83
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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