![CAS 1679381-63-5 2-Chloro-5,5-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1679381-63-5.gif)
CAS RN: 1679381-63-5
2-Chloro-5,5-dimethyl-6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine
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.20250304 | 100mg / 500mg | Out of stock | 15 business days | Inquiry |
- Product code: SSC-073251
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 |
1679381-63-5 / 2-chloro-5,5-dimethyl-6,7-dihydropyrrolo[2,3-d]pyrimidine
Basic Information
CAS
1679381-63-5
Multi CAS
No
Molecular Formula
C8H10ClN3
Molecular Weight
183.640000
Exact Mass
183.056325
SMILES
CC1(CNC2=NC(=NC=C21)Cl)C
InChI
InChI=1S/C8H10ClN3/c1-8(2)4-11-6-5(8)3-10-7(9)12-6/h3H,4H2,1-2H3,(H,10,11,12)
InChIKey
ONIHTCGRWFAQTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.5
H-bond acceptors
3
H-bond donors
1
Molar refractivity
48.56
TPSA
37.81
LogP / Solubility
WLOGP
1.83
MLOGP
1.61
XLogP3
2.4
Consensus LogP
1.95
Log S (ESOL)
-2.5
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.39
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.38
Class (SILICOS-IT)
Moderately 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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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