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873893-72-2 | 2-Pyrimidinamine, N-[4-chloro-3-[(3-methyl-2-butenyl)oxy]phenyl]-
CAS No: 873893-72-2 Catalog No: AG004JW6 MDL No:
Product Description
Catalog Number:
AG004JW6
Chemical Name:
2-Pyrimidinamine, N-[4-chloro-3-[(3-methyl-2-butenyl)oxy]phenyl]-
CAS Number:
873893-72-2
Molecular Formula:
C15H16ClN3O
Molecular Weight:
289.7600
IUPAC Name:
N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]pyrimidin-2-amine
InChI:
InChI=1S/C15H16ClN3O/c1-11(2)6-9-20-14-10-12(4-5-13(14)16)19-15-17-7-3-8-18-15/h3-8,10H,9H2,1-2H3,(H,17,18,19)
InChI Key:
IZRYQXPDZHLEKL-UHFFFAOYSA-N
SMILES:
CC(=CCOc1cc(ccc1Cl)Nc1ncccn1)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.098g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
289.763g/mol
Monoisotopic Mass:
289.098g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
Literature
| Title | Journal |
|---|---|
| Optimization of pyrimidinyl- and triazinyl-amines as non-nucleoside inhibitors of HIV-1 reverse transcriptase. | Bioorganic & medicinal chemistry letters 20061101 |
| Optimization of diarylamines as non-nucleoside inhibitors of HIV-1 reverse transcriptase. | Bioorganic & medicinal chemistry letters 20060201 |
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