Home Other Building Blocks 3-[4-methyl-6-oxo-2-(pyridin-3-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid

3-[4-methyl-6-oxo-2-(pyridin-3-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid

CAS No.:
1221722-39-9
Catalog Number:
AG019Y60
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
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Product Description
Catalog Number:
AG019Y60
Chemical Name:
3-[4-methyl-6-oxo-2-(pyridin-3-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid
CAS Number:
1221722-39-9
Molecular Formula:
C13H13N3O3
Molecular Weight:
259.2606
MDL Number:
MFCD13499349
IUPAC Name:
3-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)propanoic acid
InChI:
InChI=1S/C13H13N3O3/c1-8-10(4-5-11(17)18)13(19)16-12(15-8)9-3-2-6-14-7-9/h2-3,6-7H,4-5H2,1H3,(H,17,18)(H,15,16,19)
InChI Key:
YIYBUHQTPMHBGA-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)nc([nH]c1=O)c1cccnc1
Properties
Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.096g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
259.265g/mol
Monoisotopic Mass:
259.096g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
Properties