CAS RN: 188527-65-3
2-(o-tolyl)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.20260131 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS188527-65-3
- Purity/Analytical Methods: >99.0%
188527-65-3 / 2-(2-methylphenyl)pyrimidine
Basic Information
CAS
188527-65-3
Multi CAS
No
Molecular Formula
C11H10N2
Molecular Weight
170.210000
Exact Mass
170.084398
SMILES
CC1=CC=CC=C1C2=NC=CC=N2
InChI
InChI=1S/C11H10N2/c1-9-5-2-3-6-10(9)11-12-7-4-8-13-11/h2-8H,1H3
InChIKey
JQLWGNCKPUJSMY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
52.21
TPSA
25.78
LogP / Solubility
WLOGP
2.45
MLOGP
2.15
XLogP3
2.2
Consensus LogP
2.27
Log S (ESOL)
-3.06
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.92
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.02
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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