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Home Halogens 2,4-Quinazolinediamine,6-chloro-

2,4-Quinazolinediamine,6-chloro-

CAS No.:
18671-95-9
Catalog Number:
AG0075KZ
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
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Product Description
Catalog Number:
AG0075KZ
Chemical Name:
2,4-Quinazolinediamine,6-chloro-
CAS Number:
18671-95-9
Molecular Formula:
C8H7ClN4
Molecular Weight:
194.6210
MDL Number:
MFCD02948994
IUPAC Name:
6-chloroquinazoline-2,4-diamine
InChI:
InChI=1S/C8H7ClN4/c9-4-1-2-6-5(3-4)7(10)13-8(11)12-6/h1-3H,(H4,10,11,12,13)
InChI Key:
ZMQPXDMCQOHVLV-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(N)nc(n2)N
NSC Number:
82703
Properties
Complexity:
189  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
194.622g/mol
Monoisotopic Mass:
194.036g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
77.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6  
Literature
Title Journal
Dicyclic and tricyclic diaminopyrimidine derivatives as potent inhibitors of Cryptosporidium parvum dihydrofolate reductase: structure-activity and structure-selectivity correlations. Antimicrobial agents and chemotherapy 20011201
Identification of Cryptosporidium parvum dihydrofolate reductase inhibitors by complementation in Saccharomyces cerevisiae. Antimicrobial agents and chemotherapy 20000401
New drug developments for opportunistic infections in immunosuppressed patients: Pneumocystis carinii. Journal of medicinal chemistry 19951124
Structure-activity and structure-selectivity studies on diaminoquinazolines and other inhibitors of Pneumocystis carinii and Toxoplasma gondii dihydrofolate reductase. Antimicrobial agents and chemotherapy 19950101
Properties