CAS RN: 198711-26-1
N-(4-Methylphenyl)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.20250323 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS198711-26-1
- Purity/Analytical Methods: >99.0%
198711-26-1 / N-(4-methylphenyl)pyrimidin-2-amine
Basic Information
CAS
198711-26-1
Multi CAS
No
Molecular Formula
C11H11N3
Molecular Weight
185.220000
Exact Mass
185.095297
SMILES
CC1=CC=C(C=C1)NC2=NC=CC=N2
InChI
InChI=1S/C11H11N3/c1-9-3-5-10(6-4-9)14-11-12-7-2-8-13-11/h2-8H,1H3,(H,12,13,14)
InChIKey
MUYMBRUDOKZGMW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.49
TPSA
37.81
LogP / Solubility
WLOGP
2.53
MLOGP
2.22
XLogP3
2.4
Consensus LogP
2.38
Log S (ESOL)
-3.08
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.9
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.2
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.05
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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