CAS RN: 695-87-4
4(1H)-Pyrimidinone, 5-methoxy- (9CI)
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250504 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS695-87-4
- Purity/Analytical Methods: >99.0%
695-87-4 / 5-methoxy-1H-pyrimidin-6-one
Basic Information
CAS
695-87-4
Multi CAS
Yes
Molecular Formula
C5H6N2O2
Molecular Weight
126.110000
Exact Mass
126.042927
InChI
InChI=1S/C5H6N2O2/c1-9-4-2-6-3-7-5(4)8/h2-3H,1H3,(H,6,7,8)
InChIKey
WOKGGVGWBXBJPK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
31.41
TPSA
54.98
LogP / Solubility
WLOGP
-0.22
MLOGP
-0.2
XLogP3
-0.5
Consensus LogP
-0.31
Log S (ESOL)
-0.91
Class (ESOL)
Very soluble
Log S (Ali)
-0.43
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.42
Class (SILICOS-IT)
Very 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)
-3.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
