4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
Basic information
- CAS
5734-63-4- Standard SMILES
Cc1cc(C(F)(F)F)nc(N)n1- InChIKey
CNTCLEOUAMWZGS-UHFFFAOYSA-N- Molecular formula
- C6H6F3N3
- Average molar mass
- 177.13 g/mol
- Monoisotopic mass
- 177.05138169
Names & identifiers
- Preferred name
- 4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine
- IUPAC
- 4-methyl-6-(trifluoromethyl)pyrimidin-2-amine
- English name
- 2-Amino-4-methyl-6-(trifluoromethyl)-pyrimidine
- Molecular formula
- C6H6F3N3
- Molecular weight
- 177.13
Names & synonyms
4-methyl-6-(trifluoromethyl)pyrimidin-2-amine5734-63-44-methyl-6-(trifluoromethyl)-2-pyrimidinamineDTXSID90344965RefChem:525382DTXCID70296039660-880-22qfoMFCD00160470HSP90 Inhibitor, 22-Amino-4-methyl-6-(trifluoromethyl)-pyrimidineCHEMBL504181
Show more names
Albb-0053932-AMino-4-trifluoroMethyl-6-Methyl pyriMidine4-Methyl-6-(trifluoromethyl)pyrimidine-2-amine4-Methyl-6-trifluoromethyl-pyrimidin-2-ylamine2-Pyrimidinamine, 4-methyl-6-(trifluoromethyl)-6-Methyl-4-(trifluoromethyl)pyrimidin-2(1h)-imine4-methyl-6-(trifluoromethyl)-2-pyrimidinamine(SALTDATA: FREE)2-Amino-4-methyl-6-(trifluoromethyl)-pyrimidine ISO 9001：2015 REACH
Pyrimidine, 2-amino-4-methyl-6-(trifluoromethyl)-BDBM50270588CCG-42584STK503384AKOS000268217RS-0054CS-0280654EN300-1461891
Database identifiers
- CAS
5734-63-4- PubChem CID
- 600769
- DTXSID
DTXSID90344965- ChEMBL
CHEMBL504181- EC Number
- 660-880-2
- Nikkaji
- J102.601A
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- form
- solid
- InChI
- 1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12)
- InChIKey
- CNTCLEOUAMWZGS-UHFFFAOYSA-N
- SMILES
- Cc1cc(nc(N)n1)C(F)(F)F
- UNSPSC Code
- 12352116 · 12352116
- NACRES
- 21 · NA.21
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
- WGK Germany
- 3 · 3
- HazardClass
- IRRITANT
- HS Code
- 2933599590 · 2933599590
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (97.4%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (97.4%)
Safety data
- wgk
- 3
- hs_code
- 2933599590
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- hazard_class
- IRRITANT
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H301
- Hazard Classifications
- Acute Tox. 3 Oral
- Precautionary statements
- P301+P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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