CAS RN: 32691-58-0
2-Pyrimidineacetonitrile, 4,6-dimethyl- (8CI,9CI)
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.20250807 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS32691-58-0
- Purity/Analytical Methods: >99.0%
32691-58-0 / 2-(4,6-dimethylpyrimidin-2-yl)acetonitrile
Basic Information
CAS
32691-58-0
Multi CAS
No
Molecular Formula
C8H9N3
Molecular Weight
147.180000
Exact Mass
147.079647
InChI
InChI=1S/C8H9N3/c1-6-5-7(2)11-8(10-6)3-4-9/h5H,3H2,1-2H3
InChIKey
UMRJHWSAOAFMEA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
40.82
TPSA
49.57
LogP / Solubility
WLOGP
1.16
MLOGP
1.01
XLogP3
0.7
Consensus LogP
0.96
Log S (ESOL)
-1.82
Class (ESOL)
Soluble
Log S (Ali)
-1.6
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.7
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)
-2.79
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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![CAS 32694-82-9 (2R,3R,4R,5R)-4-[(2S,3R,4S,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl]oxy-2,3,5,6-tetrahydroxyhexanal molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/32694-82-9.gif)
