4-(4-Chlorophenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine dihydrochloride - CAS 1431964-30-5
Catalog: |
BB042945 |
Product Name: |
4-(4-Chlorophenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine dihydrochloride |
CAS: |
1431964-30-5 |
Synonyms: |
ZX-RL006739; AKOS024395332; MCULE-6155857776; PC410122; 4-(4-Chlorophenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine diHCl |
IUPAC Name: | 4-(4-chlorophenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine;dihydrochloride |
Description: | 4-(4-Chlorophenyl)-2-piperazin-1-yl-6-(trifluoromethyl)pyrimidine dihydrochloride (CAS# 1431964-30-5 ) is a useful research chemical. |
Molecular Weight: | 415.70 |
Molecular Formula: | C15H16Cl3F3N4 |
Canonical SMILES: | C1CN(CCN1)C2=NC(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)Cl.Cl.Cl |
InChI: | InChI=1S/C15H14ClF3N4.2ClH/c16-11-3-1-10(2-4-11)12-9-13(15(17,18)19)22-14(21-12)23-7-5-20-6-8-23;;/h1-4,9,20H,5-8H2;2*1H |
InChI Key: | PRIQEPCTBCPAOP-UHFFFAOYSA-N |
Complexity: | 381 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 3 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 414.039264 |
Formal Charge: | 0 |
Heavy Atom Count: | 25 |
Hydrogen Bond Acceptor Count: | 7 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 414.039264 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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