Home Other Building Blocks N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine

N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine

CAS No.:
1344151-41-2
Catalog Number:
AG019TPN
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
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Product Description
Catalog Number:
AG019TPN
Chemical Name:
N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
CAS Number:
1344151-41-2
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
MDL Number:
MFCD18361715
IUPAC Name:
N-methyl-5H-thiochromeno[4,3-d]pyrimidin-2-amine
InChI:
InChI=1S/C12H11N3S/c1-13-12-14-6-8-7-16-10-5-3-2-4-9(10)11(8)15-12/h2-6H,7H2,1H3,(H,13,14,15)
InChI Key:
NYLVQAFTSUVCAW-UHFFFAOYSA-N
SMILES:
CNc1ncc2c(n1)c1ccccc1SC2
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
63.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties