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Home> Encyclopedia > Hot Product Listed 5   > 5-Pyrimidinecarboxylicacid, 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-methyl-,eth...
338754-66-8 structure

5-Pyrimidinecarboxylicacid, 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-methyl-,ethyl ester, hydrochloride (1:?)

Iupac Name:2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxylic acid
CAS No.:338754-66-8
Molecular Weight:297.233
Molecular Formula:C25H22O7 (isomer)
Names and Identifiers
Synonyms

5-Pyrimidinecarboxylicacid, 2-[4-(4-amino-6,7-dimethoxy-2-quinazolinyl)-1-piperazinyl]-4-methyl-,ethyl ester, hydrochloride (9CI) AC1MI827 DTXSID00146891 ethyl 2-[4-(4-amino-6,7-dimethoxyquinazolin-2-yl)piperazin-1-yl]-4-methylpyrimidine-5-carboxylate hydrochloride LS-134835

Inchi
InChI=1S/C14H10F3NO3/c15-14(16,17)10-4-1-3-9(7-10)8-18-6-2-5-11(12(18)19)13(20)21/h1-7H,8H2,(H,20,21)
InChkey
YUYOYZFKVQRFTI-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CC(=C1)C(F)(F)F)CN2C=CC=C(C2=O)C(=O)O
Properties
Boiling Point
379.1°Cat760mmHg
Flash Point
244.9°C
Computational chemical data
  • Molecular Weight:297.233g/mol
  • Molecular Formula:C25H22O7
  • Compound Is Canonicalized:True
  • Exact Mass:297.061
  • Monoisotopic Mass:297.061
  • Complexity:496
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
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Recommended Suppliers
  • Tel:+49 721 95061-0
  • Fax:+49 721 95061-80
  • Tel:44 161 406 0505
  • Fax:44 161 405 0506
  • Tel:(01457) 868921 (4 lines)
  • Fax:(01457) 869360/860927
  • Tel:(33) 4 70 03 88 55
  • Fax:(33) 4 70 03 82 60
  • Tel:+44 (0)1840 212137
  • Fax:+44 (0)1840 213712
  • Tel:86 21-64251365
  • Fax:+86-21- 54293447
 
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