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123240-43-7 | 2,4-Pyrimidinediamine, 5-[3-amino-4-[methyl(phenylmethyl)amino]phenyl]-6-ethyl-
CAS No: 123240-43-7 Catalog No: AG000K8C MDL No:
Product Description
Catalog Number:
AG000K8C
Chemical Name:
2,4-Pyrimidinediamine, 5-[3-amino-4-[methyl(phenylmethyl)amino]phenyl]-6-ethyl-
CAS Number:
123240-43-7
Molecular Formula:
C20H24N6
Molecular Weight:
348.4448
IUPAC Name:
5-[3-amino-4-[benzyl(methyl)amino]phenyl]-6-ethylpyrimidine-2,4-diamine
InChI:
InChI=1S/C20H24N6/c1-3-16-18(19(22)25-20(23)24-16)14-9-10-17(15(21)11-14)26(2)12-13-7-5-4-6-8-13/h4-11H,3,12,21H2,1-2H3,(H4,22,23,24,25)
InChI Key:
QGDDCYRVMFKJMA-UHFFFAOYSA-N
SMILES:
CCc1nc(N)nc(c1c1ccc(c(c1)N)N(Cc1ccccc1)C)N
UNII:
EF9PQ0J2Z1
NSC Number:
382036
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
348.206g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
348.454g/mol
Monoisotopic Mass:
348.206g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
Literature
| Title | Journal |
|---|---|
| Identification of highly potent and selective inhibitors of Toxoplasma gondii dihydrofolate reductase. | Antimicrobial agents and chemotherapy 19930901 |
| Pneumocystis carinii dihydrofolate reductase used to screen potential antipneumocystis drugs. | Antimicrobial agents and chemotherapy 19910701 |
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