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Home > Aldehydes > 193696-10-5
193696-10-5 | 1,3-dimethyl-2,4-dioxo-6-(pyrrolidin-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CAS No: 193696-10-5 Catalog No: AG01C3QB MDL No:MFCD29762846
Product Description
Catalog Number:
AG01C3QB
Chemical Name:
1,3-dimethyl-2,4-dioxo-6-(pyrrolidin-1-yl)-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde
CAS Number:
193696-10-5
Molecular Formula:
C11H15N3O3
Molecular Weight:
237.2551
MDL Number:
MFCD29762846
IUPAC Name:
1,3-dimethyl-2,4-dioxo-6-pyrrolidin-1-ylpyrimidine-5-carbaldehyde
InChI:
InChI=1S/C11H15N3O3/c1-12-9(14-5-3-4-6-14)8(7-15)10(16)13(2)11(12)17/h7H,3-6H2,1-2H3
InChI Key:
JNSIVVQGSXLVNF-UHFFFAOYSA-N
SMILES:
O=Cc1c(N2CCCC2)n(C)c(=O)n(c1=O)C
NSC Number:
686404
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.111g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.259g/mol
Monoisotopic Mass:
237.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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