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4571-65-7 molecular structure
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6-methyl-2-(trifluoromethyl)pyrimidin-4-amine

ChemBase ID: 53151
Molecular Formular: C6H6F3N3
Molecular Mass: 177.1271496
Monoisotopic Mass: 177.05138187
SMILES and InChIs

SMILES:
c1(cc(nc(n1)C(F)(F)F)N)C
Canonical SMILES:
Cc1cc(N)nc(n1)C(F)(F)F
InChI:
InChI=1S/C6H6F3N3/c1-3-2-4(10)12-5(11-3)6(7,8)9/h2H,1H3,(H2,10,11,12)
InChIKey:
DPJHXJVFHPVGKF-UHFFFAOYSA-N

Cite this record

CBID:53151 http://www.chembase.cn/molecule-53151.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
IUPAC Traditional name
6-methyl-2-(trifluoromethyl)pyrimidin-4-amine
Synonyms
6-Methyl-2-(trifluoromethyl)pyrimidin-4-amine
CAS Number
4571-65-7
MDL Number
MFCD08436605
PubChem SID
162057914
PubChem CID
244182

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
057917 external link Add to cart Please log in.
Data Source Data ID
PubChem 244182 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.6654466  LogD (pH = 7.4) 1.6658171 
Log P 1.6658218  Molar Refractivity 37.9623 cm3
Polarizability 12.855553 Å3 Polar Surface Area 51.8 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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