CAS RN: 933685-71-3
4-Methylpyrimidine-5-carbaldehyde
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.20250803 | 100mg / 250mg | Out of stock | 15 business days | Inquiry |
- Product code: LINM900323
933685-71-3 / 4-methylpyrimidine-5-carbaldehyde
Basic Information
CAS
933685-71-3
Multi CAS
No
Molecular Formula
C6H6N2O
Molecular Weight
122.120000
Exact Mass
122.048013
InChI
InChI=1S/C6H6N2O/c1-5-6(3-9)2-7-4-8-5/h2-4H,1H3
InChIKey
WVJQNZDDJVKNTJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.17
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
32.16
TPSA
42.85
LogP / Solubility
WLOGP
0.6
MLOGP
0.52
XLogP3
0.1
Consensus LogP
0.41
Log S (ESOL)
-1.4
Class (ESOL)
Soluble
Log S (Ali)
-0.99
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-1.07
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)
-3.04
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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