CAS RN: 1068977-22-9
ethyl 2-(pyrimidin-2-yl)pyrimidine-5-carboxylate
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.20260109 | 100mg / 250mg / 1g | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS1068977-22-9
- Purity/Analytical Methods: >99.0%
1068977-22-9 / ethyl 2-pyrimidin-2-ylpyrimidine-5-carboxylate
ETHYL [2,2'-BIPYRIMIDINE]-5-CARBOXYLATE | ethyl 2-(pyrimidin-2-yl)pyrimidine-5-carboxylate | ethyl 2-pyrimidin-2-ylpyrimidine-5-carboxylate
Basic Information
CAS
1068977-22-9
Multi CAS
No
Molecular Formula
C11H10N4O2
Molecular Weight
230.220000
Exact Mass
230.080376
SMILES
CCOC(=O)C1=CN=C(N=C1)C2=NC=CC=N2
InChI
InChI=1S/C11H10N4O2/c1-2-17-11(16)8-6-14-10(15-7-8)9-12-4-3-5-13-9/h3-7H,2H2,1H3
InChIKey
NPPRDUBOKBOKTQ-UHFFFAOYSA-N
Synonyms
ETHYL [2,2'-BIPYRIMIDINE]-5-CARBOXYLATE
ethyl 2-(pyrimidin-2-yl)pyrimidine-5-carboxylate
ethyl 2-pyrimidin-2-ylpyrimidine-5-carboxylate
MFCD25542251
SB60589
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.18
Rotatable bonds
3
H-bond acceptors
6
Molar refractivity
59.01
TPSA
77.86
LogP / Solubility
WLOGP
1.11
MLOGP
0.98
XLogP3
0.4
Consensus LogP
0.83
Log S (ESOL)
-2.29
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.25
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.44
Class (SILICOS-IT)
Moderately 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)
-3.34
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 1069114-13-1 N-[3,5-bis(trifluoroMethyl)phenyl]-N’-[(1S,2S)-2-[(11bR)-3,5-dihydro-4H-dinaphth[2,1-c:1′,2′-e]azepin-4-yl]cyclohexyl]-Urea molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1069114-13-1.gif)
