CAS RN: 312507-33-8
N-(4-Methoxyphenyl)-6-Methyl-4-Pyrimidinamine
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.20251019 | 100mg / 250mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS312507-33-8
- Purity/Analytical Methods: >99.0%
312507-33-8 / N-(4-methoxyphenyl)-6-methylpyrimidin-4-amine
Basic Information
CAS
312507-33-8
Multi CAS
No
Molecular Formula
C12H13N3O
Molecular Weight
215.250000
Exact Mass
215.105862
SMILES
CC1=CC(=NC=N1)NC2=CC=C(C=C2)OC
InChI
InChI=1S/C12H13N3O/c1-9-7-12(14-8-13-9)15-10-3-5-11(16-2)6-4-10/h3-8H,1-2H3,(H,13,14,15)
InChIKey
BKKNPEMVSMAJHB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
3
H-bond acceptors
4
H-bond donors
1
Molar refractivity
63.05
TPSA
47.04
LogP / Solubility
WLOGP
2.54
MLOGP
2.23
XLogP3
2.4
Consensus LogP
2.39
Log S (ESOL)
-3.13
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.16
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
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)
-2.23
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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