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89587-80-4 | 4-Pyrimidinamine, N,N-diethyl-2,6-dimethoxy-5-(methylthio)-
CAS No: 89587-80-4 Catalog No: AG003XEI MDL No:
Product Description
Catalog Number:
AG003XEI
Chemical Name:
4-Pyrimidinamine, N,N-diethyl-2,6-dimethoxy-5-(methylthio)-
CAS Number:
89587-80-4
Molecular Formula:
C11H19N3O2S
Molecular Weight:
257.3525
IUPAC Name:
N,N-diethyl-2,6-dimethoxy-5-methylsulfanylpyrimidin-4-amine
InChI:
InChI=1S/C11H19N3O2S/c1-6-14(7-2)9-8(17-5)10(15-3)13-11(12-9)16-4/h6-7H2,1-5H3
InChI Key:
XQWFDRQVVOOONX-UHFFFAOYSA-N
SMILES:
COc1nc(OC)c(c(n1)N(CC)CC)SC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.12g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.352g/mol
Monoisotopic Mass:
257.12g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
72.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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