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89112-70-9 | Phenol, 2-[2-amino-6-(4-methylphenyl)-4-pyrimidinyl]-4,5-dimethyl-
CAS No: 89112-70-9 Catalog No: AG003ZJG MDL No:
Product Description
Catalog Number:
AG003ZJG
Chemical Name:
Phenol, 2-[2-amino-6-(4-methylphenyl)-4-pyrimidinyl]-4,5-dimethyl-
CAS Number:
89112-70-9
Molecular Formula:
C19H19N3O
Molecular Weight:
305.3737
IUPAC Name:
2-[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]-4,5-dimethylphenol
InChI:
InChI=1S/C19H19N3O/c1-11-4-6-14(7-5-11)16-10-17(22-19(20)21-16)15-8-12(2)13(3)9-18(15)23/h4-10,23H,1-3H3,(H2,20,21,22)
InChI Key:
DREVBBDHGDFWRF-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(N)nc(c1)c1cc(C)c(cc1O)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
305.381g/mol
Monoisotopic Mass:
305.153g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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