![CAS 2227-98-7 5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2227-98-7.gif)
CAS RN: 2227-98-7
5H-Pyrrolo[3,2-d]pyrimidin-4-amine (9CI)
Product Availability
Choose a grade to view its available package options.
3 package records2 with current stock2 grade groups
- Product code: SSC-107370
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: ＞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 |
|---|---|---|---|---|
| 1g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
2227-98-7 / 5H-pyrrolo[3,2-d]pyrimidin-4-amine
Basic Information
CAS
2227-98-7
Multi CAS
No
Molecular Formula
C6H6N4
Molecular Weight
134.140000
Exact Mass
134.059246
SMILES
C1=CNC2=C1N=CN=C2N
InChI
InChI=1S/C6H6N4/c7-6-5-4(1-2-8-5)9-3-10-6/h1-3,8H,(H2,7,9,10)
InChIKey
YRVFQPBPZCRUDX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
9
H-bond acceptors
3
H-bond donors
2
Molar refractivity
38.3
TPSA
67.59
LogP / Solubility
WLOGP
0.54
MLOGP
0.47
XLogP3
0.1
Consensus LogP
0.37
Log S (ESOL)
-1.68
Class (ESOL)
Soluble
Log S (Ali)
-1.05
Class (Ali)
Soluble
Log S (SILICOS-IT)
-0.98
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.15
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
