CAS RN: 148149-29-5
4-Pyrimidinecarboxylicacid,6-methyl-,ethylester(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.20260201 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS148149-29-5
- Purity/Analytical Methods: >99.0%
148149-29-5 / ethyl 6-methylpyrimidine-4-carboxylate
Basic Information
CAS
148149-29-5
Multi CAS
No
Molecular Formula
C8H10N2O2
Molecular Weight
166.180000
Exact Mass
166.074228
SMILES
CCOC(=O)C1=NC=NC(=C1)C
InChI
InChI=1S/C8H10N2O2/c1-3-12-8(11)7-4-6(2)9-5-10-7/h4-5H,3H2,1-2H3
InChIKey
FFSANUFJFMEFFK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.38
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
42.73
TPSA
52.08
LogP / Solubility
WLOGP
0.96
MLOGP
0.84
XLogP3
1.2
Consensus LogP
1
Log S (ESOL)
-1.71
Class (ESOL)
Soluble
Log S (Ali)
-1.62
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.78
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)
-3.05
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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