4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine - CAS 5734-63-4
Catalog: |
BB029653 |
Product Name: |
4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine |
CAS: |
5734-63-4 |
Synonyms: |
4-methyl-6-(trifluoromethyl)pyrimidin-2-amine |
IUPAC Name: | 4-methyl-6-(trifluoromethyl)pyrimidin-2-amine |
Description: | 4-Methyl-6-(trifluoromethyl)-2-pyrimidinamine (CAS# 5734-63-4) is a useful research chemical. |
Molecular Weight: | 177.13 |
Molecular Formula: | C6H6F3N3 |
Canonical SMILES: | CC1=CC(=NC(=N1)N)C(F)(F)F |
InChI: | InChI=1S/C6H6F3N3/c1-3-2-4(6(7,8)9)12-5(10)11-3/h2H,1H3,(H2,10,11,12) |
InChI Key: | CNTCLEOUAMWZGS-UHFFFAOYSA-N |
Boiling Point: | 268.3 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.384 g/cm3 |
MDL: | MFCD00160470 |
LogP: | 1.96720 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
AU-2012230378-A1 | Heterocyclic amine derivatives | 20110324 |
CA-2828283-A1 | Heterocyclic amine derivatives | 20110324 |
CN-103443074-A | Heterocyclic amine derivatives | 20110324 |
CN-103443074-B | Heterocyclic amine derivative | 20110324 |
EP-2688870-A1 | Heterocyclic amine derivatives | 20110324 |
PMID | Publication Date | Title | Journal |
17630989 | 20070701 | Discovery and design of novel HSP90 inhibitors using multiple fragment-based design strategies | Chemical biology & drug design |
Complexity: | 159 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 177.05138169 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 177.05138169 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 51.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.2 |
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