CAS RN: 1782399-94-3
5-Methoxy-2-methylpyrimidine
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.20260507 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1782399-94-3
- Purity/Analytical Methods: >99.0%
1782399-94-3 / 5-methoxy-2-methylpyrimidine
Basic Information
CAS
1782399-94-3
Multi CAS
No
Molecular Formula
C6H8N2O
Molecular Weight
124.140000
Exact Mass
124.063663
SMILES
CC1=NC=C(C=N1)OC
InChI
InChI=1S/C6H8N2O/c1-5-7-3-6(9-2)4-8-5/h3-4H,1-2H3
InChIKey
MQFVQGNPPLLLCA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
33.32
TPSA
35.01
LogP / Solubility
WLOGP
0.79
MLOGP
0.69
XLogP3
0.6
Consensus LogP
0.69
Log S (ESOL)
-1.54
Class (ESOL)
Soluble
Log S (Ali)
-1.15
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.25
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)
-2.91
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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