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89544-94-5 | 4(3H)-Pyrimidinone, 2,6-dimethyl-3-(phenylamino)-
CAS No: 89544-94-5 Catalog No: AG003YL8 MDL No:
Product Description
Catalog Number:
AG003YL8
Chemical Name:
4(3H)-Pyrimidinone, 2,6-dimethyl-3-(phenylamino)-
CAS Number:
89544-94-5
Molecular Formula:
C12H13N3O
Molecular Weight:
215.2511
IUPAC Name:
3-anilino-2,6-dimethylpyrimidin-4-one
InChI:
InChI=1S/C12H13N3O/c1-9-8-12(16)15(10(2)13-9)14-11-6-4-3-5-7-11/h3-8,14H,1-2H3
InChI Key:
JGAGHIMGOJTFBN-UHFFFAOYSA-N
SMILES:
Cc1cc(=O)n(c(n1)C)Nc1ccccc1
Properties
Complexity:
340
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.256g/mol
Monoisotopic Mass:
215.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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