![CAS 6957-21-7 N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/6957-21-7.gif)
CAS RN: 6957-21-7
N-[(4-methoxyphenyl)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.20250919 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS6957-21-7
- Purity/Analytical Methods: >99.0%
6957-21-7 / N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
Basic Information
CAS
6957-21-7
Multi CAS
Yes
Molecular Formula
C12H13N3O
Molecular Weight
215.250000
Exact Mass
215.105862
InChI
InChI=1S/C12H13N3O/c1-16-11-5-3-10(4-6-11)9-15-12-13-7-2-8-14-12/h2-8H,9H2,1H3,(H,13,14,15)
InChIKey
UCAOGWCFIZYXNE-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
62.35
TPSA
47.04
LogP / Solubility
WLOGP
2.1
MLOGP
1.85
XLogP3
2
Consensus LogP
1.98
Log S (ESOL)
-2.79
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.84
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.28
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)
-2.54
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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isonicotinaldehyde (4-pyridylmethylene)hydrazone
- CAS RN: 6957-22-8
- Product Code: starshine_CAS6957-22-8
- Purity/Analytical method: >99.0%
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