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86626-95-1 | 4-Pyrimidinamine, 6-chloro-N-(2,3-dimethylphenyl)-2-(methylthio)-
CAS No: 86626-95-1 Catalog No: AG004P01 MDL No:
Product Description
Catalog Number:
AG004P01
Chemical Name:
4-Pyrimidinamine, 6-chloro-N-(2,3-dimethylphenyl)-2-(methylthio)-
CAS Number:
86626-95-1
Molecular Formula:
C13H14ClN3S
Molecular Weight:
279.7884
IUPAC Name:
6-chloro-N-(2,3-dimethylphenyl)-2-methylsulfanylpyrimidin-4-amine
InChI:
InChI=1S/C13H14ClN3S/c1-8-5-4-6-10(9(8)2)15-12-7-11(14)16-13(17-12)18-3/h4-7H,1-3H3,(H,15,16,17)
InChI Key:
NRMJORKWXBXRLJ-UHFFFAOYSA-N
SMILES:
CSc1nc(cc(n1)Cl)Nc1cccc(c1C)C
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.06g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
279.786g/mol
Monoisotopic Mass:
279.06g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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