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CAS 916792-24-0 2-Amino-4-(4-trifluoromethylphenyl)pyrimidine molecular structure lightbox
CAS RN: 916792-24-0

2-Amino-4-(4-trifluoromethylphenyl)pyrimidine

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4 package records3 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260613 100mg Out of stock Inquiry
Batchno.20260313 100mg / 250mg / 1g Confirm by inquiry Shanghai Inquiry
Batchno.20251027 1g In stock Shenzhen Inquiry
Batchno.20260308 250mg In stock Tianjin Inquiry
  • Product code: starshine_CAS916792-24-0
  • Purity/Analytical Methods: >99.0%
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916792-24-0 / 4-[4-(trifluoromethyl)phenyl]pyrimidin-2-amine

Standard CAS: 916792-24-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
916792-24-0
Multi CAS
No
Molecular Formula
C11F3H8N3
Molecular Weight
239.200000
Exact Mass
239.067032
InChI
InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-7(2-4-8)9-5-6-16-10(15)17-9/h1-6H,(H2,15,16,17)
InChIKey
OLQCITONQLPHLF-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.09
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
56.88
TPSA
51.8

LogP / Solubility

WLOGP
2.74
MLOGP
2.42
XLogP3
2.4
Consensus LogP
2.52
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.5
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.61
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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