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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Shenzhen | Inquiry |
15400-54-1 / ethyl 2,4-diaminopyrimidine-5-carboxylate
Basic Information
CAS
15400-54-1
Multi CAS
No
Molecular Formula
C7H10N4O2
Molecular Weight
182.180000
Exact Mass
182.080376
SMILES
CCOC(=O)C1=CN=C(N=C1N)N
InChI
InChI=1S/C7H10N4O2/c1-2-13-6(12)4-3-10-7(9)11-5(4)8/h3H,2H2,1H3,(H4,8,9,10,11)
InChIKey
MANFWSKJPOXKJZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
2
Molar refractivity
46.81
TPSA
104.12
LogP / Solubility
WLOGP
-0.18
MLOGP
-0.16
XLogP3
0.3
Consensus LogP
-0.01
Log S (ESOL)
-1.06
Class (ESOL)
Soluble
Log S (Ali)
-0.92
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.93
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.96
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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AIDS031406
- CAS RN: 15401-60-2
- Product Code: starshine_CAS15401-60-2
- Purity/Analytical method: >99.0%
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