200,000+ products from a single source!
sales@angenechem.com
119427-22-4 | 2,4-Pyrimidinediamine, 5-[[4-(3-phenylpropoxy)phenyl]methyl]-
CAS No: 119427-22-4 Catalog No: AG000IQO MDL No:
Product Description
Catalog Number:
AG000IQO
Chemical Name:
2,4-Pyrimidinediamine, 5-[[4-(3-phenylpropoxy)phenyl]methyl]-
CAS Number:
119427-22-4
Molecular Formula:
C20H22N4O
Molecular Weight:
334.4149
IUPAC Name:
5-[[4-(3-phenylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
InChI:
InChI=1S/C20H22N4O/c21-19-17(14-23-20(22)24-19)13-16-8-10-18(11-9-16)25-12-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-11,14H,4,7,12-13H2,(H4,21,22,23,24)
InChI Key:
FRAJNIZEYIIIAQ-UHFFFAOYSA-N
SMILES:
Nc1ncc(c(n1)N)Cc1ccc(cc1)OCCCc1ccccc1
Properties
Complexity:
367
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
334.179g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
334.423g/mol
Monoisotopic Mass:
334.179g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
87A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
Literature
| Title | Journal |
|---|---|
| Target guided synthesis of 5-benzyl-2,4-diamonopyrimidines: their antimalarial activities and binding affinities to wild type and mutant dihydrofolate reductases from Plasmodium falciparum. | Journal of medicinal chemistry 20040115 |
| [Synthesis and antimycobacterial action of lipophilic substituted 2,4-diamino-5-benzylpyrimidines]. | Arzneimittel-Forschung 19881201 |
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.