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CAS 1150263-75-4 (R)-1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethanamine molecular structure lightbox
CAS RN: 1150263-75-4

(R)-1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethanamine

  • Product code: SSC-014731
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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 1150263-75-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1150263-75-4 / (1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine

(R)-1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethanamine | (1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine | (1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethan-1-amine

Standard CAS: 1150263-75-4 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1150263-75-4
Multi CAS
Yes
Molecular Formula
C7H8F3N3
Molecular Weight
191.150000
Exact Mass
191.067032
SMILES
C[C@H](C1=CN=C(N=C1)C(F)(F)F)N
InChI
InChI=1S/C7H8F3N3/c1-4(11)5-2-12-6(13-3-5)7(8,9)10/h2-4H,11H2,1H3/t4-/m1/s1
InChIKey
NMFKACMVCRUBJJ-SCSAIBSYSA-N
Synonyms
(R)-1-(2-(Trifluoromethyl)pyrimidin-5-yl)ethanamine (1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethanamine (1R)-1-[2-(trifluoromethyl)pyrimidin-5-yl]ethan-1-amine (R)-1-[2-(Trifluoromethyl)pyrimidin-5-yl]ethanamine MFCD24848670

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
39.64
TPSA
51.8

LogP / Solubility

WLOGP
1.52
MLOGP
1.33
XLogP3
0.4
Consensus LogP
1.08
Log S (ESOL)
-2.26
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.22
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.28
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.81

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2

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