Home Other Building Blocks 2-ACETOACETAMIDO-4-METHYLPYRIMIDINE

2-ACETOACETAMIDO-4-METHYLPYRIMIDINE

CAS No.:
713-70-2
Catalog Number:
AG00FI7U
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
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Product Description
Catalog Number:
AG00FI7U
Chemical Name:
2-ACETOACETAMIDO-4-METHYLPYRIMIDINE
CAS Number:
713-70-2
Molecular Formula:
C9H11N3O2
Molecular Weight:
193.2025
MDL Number:
MFCD00088050
IUPAC Name:
N-(4-methylpyrimidin-2-yl)-3-oxobutanamide
InChI:
InChI=1S/C9H11N3O2/c1-6-3-4-10-9(11-6)12-8(14)5-7(2)13/h3-4H,5H2,1-2H3,(H,10,11,12,14)
InChI Key:
ZRPIIQFTZUBLHR-UHFFFAOYSA-N
SMILES:
O=C(Nc1nccc(n1)C)CC(=O)C
Properties
Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.085g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
193.206g/mol
Monoisotopic Mass:
193.085g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties