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89587-75-7 | 4-Pyrimidinamine, 2,6-dimethoxy-5-(methylthio)-N-propyl-
CAS No: 89587-75-7 Catalog No: AG003XEL MDL No:
Product Description
Catalog Number:
AG003XEL
Chemical Name:
4-Pyrimidinamine, 2,6-dimethoxy-5-(methylthio)-N-propyl-
CAS Number:
89587-75-7
Molecular Formula:
C10H17N3O2S
Molecular Weight:
243.3259
IUPAC Name:
2,6-dimethoxy-5-methylsulfanyl-N-propylpyrimidin-4-amine
InChI:
InChI=1S/C10H17N3O2S/c1-5-6-11-8-7(16-4)9(14-2)13-10(12-8)15-3/h5-6H2,1-4H3,(H,11,12,13)
InChI Key:
DDGYQQCMCTUTFV-UHFFFAOYSA-N
SMILES:
CCCNc1nc(OC)nc(c1SC)OC
Properties
Complexity:
197
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
243.104g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
243.325g/mol
Monoisotopic Mass:
243.104g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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