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

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

CAS No.:
1311315-21-5
Catalog Number:
AG01AHPB
Molecular Formula:
C13H14ClN3O3
Molecular Weight:
295.7216
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Product Description
Catalog Number:
AG01AHPB
Chemical Name:
3-[4-methyl-6-oxo-2-(pyridin-4-yl)-1,6-dihydropyrimidin-5-yl]propanoic acid hydrochloride
CAS Number:
1311315-21-5
Molecular Formula:
C13H14ClN3O3
Molecular Weight:
295.7216
MDL Number:
MFCD18785555
IUPAC Name:
3-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)propanoic acid;hydrochloride
InChI:
InChI=1S/C13H13N3O3.ClH/c1-8-10(2-3-11(17)18)13(19)16-12(15-8)9-4-6-14-7-5-9;/h4-7H,2-3H2,1H3,(H,17,18)(H,15,16,19);1H
InChI Key:
BENUJDYJJPJUGI-UHFFFAOYSA-N
SMILES:
OC(=O)CCc1c(C)nc([nH]c1=O)c1ccncc1.Cl
Properties
Complexity:
448  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.072g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
295.723g/mol
Monoisotopic Mass:
295.072g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
91.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties