Home Nitriles 1,3-dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

1,3-dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

CAS No.:
949347-72-2
Catalog Number:
AG01C3Q8
Molecular Formula:
C11H14N4O3
Molecular Weight:
250.2539
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Product Description
Catalog Number:
AG01C3Q8
Chemical Name:
1,3-dimethyl-6-(morpholin-4-yl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
949347-72-2
Molecular Formula:
C11H14N4O3
Molecular Weight:
250.2539
MDL Number:
MFCD10509146
IUPAC Name:
1,3-dimethyl-4-morpholin-4-yl-2,6-dioxopyrimidine-5-carbonitrile
InChI:
InChI=1S/C11H14N4O3/c1-13-9(15-3-5-18-6-4-15)8(7-12)10(16)14(2)11(13)17/h3-6H2,1-2H3
InChI Key:
KNKOXTZTXJCKLB-UHFFFAOYSA-N
SMILES:
N#Cc1c(N2CCOCC2)n(C)c(=O)n(c1=O)C
Properties
Complexity:
470  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.107g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
250.258g/mol
Monoisotopic Mass:
250.107g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7  
Properties