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27844-99-1 | 2-Pyrimidinamine, 5-[2-(4-chloro-2,5-dimethoxyphenyl)diazenyl]-4-methyl-6-phenyl-
CAS No: 27844-99-1 Catalog No: AG002UWM MDL No:
Product Description
Catalog Number:
AG002UWM
Chemical Name:
2-Pyrimidinamine, 5-[2-(4-chloro-2,5-dimethoxyphenyl)diazenyl]-4-methyl-6-phenyl-
CAS Number:
27844-99-1
Molecular Formula:
C19H18ClN5O2
Molecular Weight:
383.8315
IUPAC Name:
5-[(4-chloro-2,5-dimethoxyphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
InChI:
InChI=1S/C19H18ClN5O2/c1-11-17(18(23-19(21)22-11)12-7-5-4-6-8-12)25-24-14-10-15(26-2)13(20)9-16(14)27-3/h4-10H,1-3H3,(H2,21,22,23)
InChI Key:
BSBUYVHTUVJPJF-UHFFFAOYSA-N
SMILES:
COc1cc(Cl)c(cc1N=Nc1c(C)nc(nc1c1ccccc1)N)OC
NSC Number:
132523
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.115g/mol
Formal Charge:
0
Heavy Atom Count:
27
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
383.836g/mol
Monoisotopic Mass:
383.115g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
95A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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