CAS RN: 18620-73-0
2,4-DIAMINO-5-NITROPYRIMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20260607 | 1g / 5g / 10g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-086288
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 | Beijing | Inquiry |
18620-73-0 / 5-nitropyrimidine-2,4-diamine
Basic Information
CAS
18620-73-0
Multi CAS
No
Molecular Formula
C4H5N5O2
Molecular Weight
155.120000
Exact Mass
155.044324
SMILES
C1=C(C(=NC(=N1)N)N)[N+](=O)[O-]
InChI
InChI=1S/C4H5N5O2/c5-3-2(9(10)11)1-7-4(6)8-3/h1H,(H4,5,6,7,8)
InChIKey
UUWYIIVPLIJDMQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
2
Molar refractivity
37.51
TPSA
120.96
LogP / Solubility
WLOGP
-0.45
MLOGP
-0.4
XLogP3
-0.1
Consensus LogP
-0.32
Log S (ESOL)
-0.86
Class (ESOL)
Very soluble
Log S (Ali)
-0.51
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.41
Class (SILICOS-IT)
Very 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)
-3.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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