Home Halogens 6-amino-1-benzyl-5-bromo-3-methylpyrimidine-2,4-dione

6-amino-1-benzyl-5-bromo-3-methylpyrimidine-2,4-dione

CAS No.:
610259-81-9
Catalog Number:
AG00IASK
Molecular Formula:
C12H12BrN3O2
Molecular Weight:
310.1466
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Product Description
Catalog Number:
AG00IASK
Chemical Name:
6-amino-1-benzyl-5-bromo-3-methylpyrimidine-2,4-dione
CAS Number:
610259-81-9
Molecular Formula:
C12H12BrN3O2
Molecular Weight:
310.1466
MDL Number:
MFCD03655935
IUPAC Name:
6-amino-1-benzyl-5-bromo-3-methylpyrimidine-2,4-dione
InChI:
InChI=1S/C12H12BrN3O2/c1-15-11(17)9(13)10(14)16(12(15)18)7-8-5-3-2-4-6-8/h2-6H,7,14H2,1H3
InChI Key:
WHDJJPOKWBKVKI-UHFFFAOYSA-N
SMILES:
Brc1c(N)n(Cc2ccccc2)c(=O)n(c1=O)C
Properties
Complexity:
402  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
309.011g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
310.151g/mol
Monoisotopic Mass:
309.011g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties