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24892-90-8 | 1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-
CAS No: 24892-90-8 Catalog No: AG002PRL MDL No:
Product Description
Catalog Number:
AG002PRL
Chemical Name:
1,3,5-Triazine-2,4-diamine, 1,6-dihydro-6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-
CAS Number:
24892-90-8
Molecular Formula:
C21H27N5
Molecular Weight:
349.4726
IUPAC Name:
6,6-dimethyl-1-[4-(4-phenylbutyl)phenyl]-1,3,5-triazine-2,4-diamine
InChI:
InChI=1S/C21H27N5/c1-21(2)25-19(22)24-20(23)26(21)18-14-12-17(13-15-18)11-7-6-10-16-8-4-3-5-9-16/h3-5,8-9,12-15H,6-7,10-11H2,1-2H3,(H4,22,23,24,25)
InChI Key:
RHDNKXYQUZIPEI-UHFFFAOYSA-N
SMILES:
NC1=NC(N(C(=N1)N)c1ccc(cc1)CCCCc1ccccc1)(C)C
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.227g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
349.482g/mol
Monoisotopic Mass:
349.227g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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