CAS RN: 651734-65-5
Ethyl 4-(cyclopropylamino)-2-(methylthio)-pyrimidine-5-carboxylate
- Product code: SSC-174841
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
651734-65-5 / ethyl 4-(cyclopropylamino)-2-methylsulfanylpyrimidine-5-carboxylate
Basic Information
CAS
651734-65-5
Multi CAS
Yes
Molecular Formula
C11H15N3O2S
Molecular Weight
253.320000
Exact Mass
253.088498
InChI
InChI=1S/C11H15N3O2S/c1-3-16-10(15)8-6-12-11(17-2)14-9(8)13-7-4-5-7/h6-7H,3-5H2,1-2H3,(H,12,13,14)
InChIKey
VOLYYVCUCYOUDG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.55
Rotatable bonds
5
H-bond acceptors
6
H-bond donors
1
Molar refractivity
66.41
TPSA
64.11
LogP / Solubility
WLOGP
1.95
MLOGP
1.72
XLogP3
2.7
Consensus LogP
2.12
Log S (ESOL)
-2.57
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.04
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.52
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.88
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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