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73418-87-8 molecular structure
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2-(trifluoromethyl)pyrimidin-5-amine

ChemBase ID: 70973
Molecular Formular: C5H4F3N3
Molecular Mass: 163.1005696
Monoisotopic Mass: 163.0357318
SMILES and InChIs

SMILES:
c1(ncc(cn1)N)C(F)(F)F
Canonical SMILES:
FC(c1ncc(cn1)N)(F)F
InChI:
InChI=1S/C5H4F3N3/c6-5(7,8)4-10-1-3(9)2-11-4/h1-2H,9H2
InChIKey:
LOOGTXVQDBMCOL-UHFFFAOYSA-N

Cite this record

CBID:70973 http://www.chembase.cn/molecule-70973.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(trifluoromethyl)pyrimidin-5-amine
IUPAC Traditional name
2-(trifluoromethyl)pyrimidin-5-amine
Synonyms
2-(Trifluoromethyl)pyrimidin-5-amine
2-(Trifluoromethyl)-5-pyrimidinamine
5-Amino-2-(trifluoromethyl)pyrimidine
CAS Number
73418-87-8
MDL Number
MFCD09754047
PubChem SID
162036681
PubChem CID
14290906

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Molar Refractivity 33.0573 cm3 Polarizability 11.168279 Å3
Polar Surface Area 51.8 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.83871883 
LogD (pH = 7.4) 0.8387189  Log P 0.8387189 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95+% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

TRC TRC
Toronto Research Chemicals - A630790 external link
5-Amino-2-(trifluoromethyl)pyrimidine is used in the preparation of heteroaryl compounds useful as Raf kinase inhibitors.

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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