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1196886-06-2 | 5-Pyrimidinamine, 4-chloro-2-(methylthio)-6-(phenylmethoxy)-
CAS No: 1196886-06-2 Catalog No: AG000PG2 MDL No:
Product Description
Catalog Number:
AG000PG2
Chemical Name:
5-Pyrimidinamine, 4-chloro-2-(methylthio)-6-(phenylmethoxy)-
CAS Number:
1196886-06-2
Molecular Formula:
C12H12ClN3OS
Molecular Weight:
281.7612
IUPAC Name:
4-chloro-2-methylsulfanyl-6-phenylmethoxypyrimidin-5-amine
InChI:
InChI=1S/C12H12ClN3OS/c1-18-12-15-10(13)9(14)11(16-12)17-7-8-5-3-2-4-6-8/h2-6H,7,14H2,1H3
InChI Key:
OLMAJFVCDBVWFL-UHFFFAOYSA-N
SMILES:
CSc1nc(OCc2ccccc2)c(c(n1)Cl)N
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.039g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.758g/mol
Monoisotopic Mass:
281.039g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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