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CAS 1094311-67-7 2-(4-(trifluoromethyl)phenyl)pyrimidin-5-amine molecular structure lightbox
CAS RN: 1094311-67-7

2-(4-(trifluoromethyl)phenyl)pyrimidin-5-amine

Product Availability

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3 package records0 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20251231 100mg Out of stock Inquiry
Batchno.20260220 1g Out of stock Inquiry
Batchno.20251228 250mg Out of stock Inquiry
  • Product code: SSC-010765
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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
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1094311-67-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1094311-67-7 / 2-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine

2-(4-(trifluoromethyl)phenyl)pyrimidin-5-amine | 2-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine | MFCD11180897

Standard CAS: 1094311-67-7 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1094311-67-7
Multi CAS
No
Molecular Formula
C11H8F3N3
Molecular Weight
239.200000
Exact Mass
239.067032
SMILES
C1=CC(=CC=C1C2=NC=C(C=N2)N)C(F)(F)F
InChI
InChI=1S/C11H8F3N3/c12-11(13,14)8-3-1-7(2-4-8)10-16-5-9(15)6-17-10/h1-6H,15H2
InChIKey
VHJVKEFNWVQJNW-UHFFFAOYSA-N
Synonyms
2-(4-(trifluoromethyl)phenyl)pyrimidin-5-amine 2-[4-(trifluoromethyl)phenyl]pyrimidin-5-amine MFCD11180897 SCHEMBL9951531 AKOS009310757

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
2.1
Consensus LogP
2.42
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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