![CAS 1275699-51-8 N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1275699-51-8.gif)
CAS RN: 1275699-51-8
N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250713 | 1g / 5g | Out of stock | 15 business days | Inquiry |
- Product code: SSC-035075
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 | Shanghai | Inquiry |
1275699-51-8 / N-[(2,4-dimethoxyphenyl)methyl]pyrimidin-2-amine
Basic Information
CAS
1275699-51-8
Multi CAS
No
Molecular Formula
C13H15N3O2
Molecular Weight
245.280000
Exact Mass
245.116427
SMILES
COC1=CC(=C(C=C1)CNC2=NC=CC=N2)OC
InChI
InChI=1S/C13H15N3O2/c1-17-11-5-4-10(12(8-11)18-2)9-16-13-14-6-3-7-15-13/h3-8H,9H2,1-2H3,(H,14,15,16)
InChIKey
LYKHJQWZCXZBTG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.23
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
1
Molar refractivity
68.9
TPSA
56.27
LogP / Solubility
WLOGP
2.11
MLOGP
1.86
XLogP3
2
Consensus LogP
1.99
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.09
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.6
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
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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