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89112-62-9 | Phenol, 2-[2-amino-6-(3-methoxyphenyl)-4-pyrimidinyl]-4,6-dimethyl-
CAS No: 89112-62-9 Catalog No: AG003ZSY MDL No:
Product Description
Catalog Number:
AG003ZSY
Chemical Name:
Phenol, 2-[2-amino-6-(3-methoxyphenyl)-4-pyrimidinyl]-4,6-dimethyl-
CAS Number:
89112-62-9
Molecular Formula:
C19H19N3O2
Molecular Weight:
321.3731
IUPAC Name:
2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-4,6-dimethylphenol
InChI:
InChI=1S/C19H19N3O2/c1-11-7-12(2)18(23)15(8-11)17-10-16(21-19(20)22-17)13-5-4-6-14(9-13)24-3/h4-10,23H,1-3H3,(H2,20,21,22)
InChI Key:
ZMRHOUJOUVQCGP-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nc(N)nc(c1)c1cc(C)cc(c1O)C
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
321.148g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
321.38g/mol
Monoisotopic Mass:
321.148g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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