![CAS 69205-79-4 3H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2-amino-4,7-dihydro-4-oxo- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/69205-79-4.gif)
CAS RN: 69205-79-4
3H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile, 2-amino-4,7-dihydro-4-oxo-
Product Availability
Choose a grade to view its available package options.
5 package records5 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260111 | 100mg | In stock | Shanghai | Inquiry |
| Batchno.20260323 | 1g | In stock | Shanghai | Inquiry |
| Batchno.20250620 | 250mg | In stock | Shanghai, Shenzhen, Tianjin | Inquiry |
| Batchno.20260214 | 50mg / 250mg / 1g / 5g | Confirm by inquiry | Shanghai, Guangdong | Inquiry |
| Batchno.20250306 | 5g | In stock | Shanghai | Inquiry |
- Product code: SSC-178825
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 2
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
69205-79-4 / 2-amino-4-oxo-3,7a-dihydropyrrolo[2,3-d]pyrimidine-5-carbonitrile
Basic Information
CAS
69205-79-4
Multi CAS
Yes
Molecular Formula
C7H5N5O
Molecular Weight
175.150000
Exact Mass
175.049410
InChI
InChI=1S/C7H5N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,(H4,9,10,11,12,13)
InChIKey
FMKSMYDYKXQYRV-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Fraction Csp3
0.14
H-bond acceptors
5
H-bond donors
2
Molar refractivity
44.68
TPSA
103.63
LogP / Solubility
WLOGP
-1.34
MLOGP
-1.18
XLogP3
-2
Consensus LogP
-1.51
Log S (ESOL)
-0.08
Class (ESOL)
Very soluble
Log S (Ali)
-0.03
Class (Ali)
Very soluble
Log S (SILICOS-IT)
0.31
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)
-4.74
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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