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89587-78-0 | 4-Pyrimidinamine, 2,6-dimethoxy-5-(methylthio)-
CAS No: 89587-78-0 Catalog No: AG003XEJ MDL No:
Product Description
Catalog Number:
AG003XEJ
Chemical Name:
4-Pyrimidinamine, 2,6-dimethoxy-5-(methylthio)-
CAS Number:
89587-78-0
Molecular Formula:
C7H11N3O2S
Molecular Weight:
201.2461
IUPAC Name:
2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine
InChI:
InChI=1S/C7H11N3O2S/c1-11-6-4(13-3)5(8)9-7(10-6)12-2/h1-3H3,(H2,8,9,10)
InChI Key:
RBMDIALURBOXGV-UHFFFAOYSA-N
SMILES:
COc1nc(OC)nc(c1SC)N
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.057g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.244g/mol
Monoisotopic Mass:
201.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
95.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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