![CAS 111984-01-1 5,7-Dimethylimidazo[1,2-a]pyrimidine-2-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB5956876.gif)
CAS RN: 111984-01-1
5,7-Dimethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
- Product code: SSC-012446
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 | Hong Kong | Inquiry |
111984-01-1 / 5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylic acid | MFCD03147592 | 5,7-Dimethylimidazo[1,2-a]pyrimidine-2-carboxylicacid
Basic Information
CAS
111984-01-1
Multi CAS
No
Molecular Formula
C9H9N3O2
Molecular Weight
191.190000
Exact Mass
191.069477
SMILES
CC1=CC(=NC2=NC(=CN12)C(=O)O)C
InChI
InChI=1S/C9H9N3O2/c1-5-3-6(2)12-4-7(8(13)14)11-9(12)10-5/h3-4H,1-2H3,(H,13,14)
InChIKey
XMOXXRRTXGNQAC-UHFFFAOYSA-N
Synonyms
5,7-dimethylimidazo[1,2-a]pyrimidine-2-carboxylic acid
MFCD03147592
5,7-Dimethylimidazo[1,2-a]pyrimidine-2-carboxylicacid
SCHEMBL27242010
DTXSID00651758
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.42
TPSA
67.49
LogP / Solubility
WLOGP
1.04
MLOGP
0.92
XLogP3
1.8
Consensus LogP
1.25
Log S (ESOL)
-2.09
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.89
Class (SILICOS-IT)
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)
-3.14
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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