Home Aldehydes 1,3-dimethyl-2,4-dioxo-6-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde

1,3-dimethyl-2,4-dioxo-6-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde

CAS No.:
155544-40-4
Catalog Number:
AG01C3Q9
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
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Product Description
Catalog Number:
AG01C3Q9
Chemical Name:
1,3-dimethyl-2,4-dioxo-6-(piperidin-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CAS Number:
155544-40-4
Molecular Formula:
C12H17N3O3
Molecular Weight:
251.2817
MDL Number:
MFCD13590563
IUPAC Name:
1,3-dimethyl-2,4-dioxo-6-piperidin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C12H17N3O3/c1-13-10(15-6-4-3-5-7-15)9(8-16)11(17)14(2)12(13)18/h8H,3-7H2,1-2H3
InChI Key:
FHBSUGXCFFXSAX-UHFFFAOYSA-N
SMILES:
O=Cc1c(N2CCCCC2)n(C)c(=O)n(c1=O)C
Properties
Complexity:
424  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.127g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.286g/mol
Monoisotopic Mass:
251.127g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2  
Properties