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CAS 1196152-75-6 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine hydrochloride molecular structure lightbox
CAS RN: 1196152-75-6

2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethan-1-amine hydrochloride

  • Product code: SSC-020213
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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: 0.1g
  • 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 1196152-75-6
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g ≥95% 0 Out of Stock Shanghai Inquiry

1196152-75-6 / 2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethanamine;hydrochloride

2-(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)ETHANAMINE HYDROCHLORIDE | 2-[4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]ETHANAMINE HYDROCHLORIDE | RefChem:458064

Standard CAS: 1196152-75-6 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1196152-75-6
Multi CAS
Yes
Molecular Formula
C8H11ClF3N3
Molecular Weight
241.640000
Exact Mass
241.059360
SMILES
CC1=CC(=NC(=N1)CCN)C(F)(F)F.Cl
InChI
InChI=1S/C8H10F3N3.ClH/c1-5-4-6(8(9,10)11)14-7(13-5)2-3-12;/h4H,2-3,12H2,1H3;1H
InChIKey
YIEHHGRYWDZLLA-UHFFFAOYSA-N
Synonyms
2-(4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL)ETHANAMINE HYDROCHLORIDE 2-[4-METHYL-6-(TRIFLUOROMETHYL)PYRIMIDIN-2-YL]ETHANAMINE HYDROCHLORIDE RefChem:458064 107-003-7 {2-[4-Methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}amine hydrochloride

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
51.78
TPSA
51.8

LogP / Solubility

WLOGP
1.73
MLOGP
1.52
XLogP3
1.73
Consensus LogP
1.66
Log S (ESOL)
-2.59
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.79
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.9
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)
-2.97

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic
Signal
Danger
GHS Hazard Statements
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement Codes
P264, P270, P301+P316, P321, P330, P405, and P501

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