Home Nitriles 1-cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

1-cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

CAS No.:
2044712-97-0
Catalog Number:
AG01BXW7
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
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Product Description
Catalog Number:
AG01BXW7
Chemical Name:
1-cyclopropyl-6-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
2044712-97-0
Molecular Formula:
C9H9N3O2
Molecular Weight:
191.1867
MDL Number:
MFCD30488059
IUPAC Name:
1-cyclopropyl-6-methyl-2,4-dioxopyrimidine-5-carbonitrile
InChI:
InChI=1S/C9H9N3O2/c1-5-7(4-10)8(13)11-9(14)12(5)6-2-3-6/h6H,2-3H2,1H3,(H,11,13,14)
InChI Key:
SJOPQKKTPUJSKS-UHFFFAOYSA-N
SMILES:
N#Cc1c(=O)[nH]c(=O)n(c1C)C1CC1
Properties
Complexity:
398  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.069g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.19g/mol
Monoisotopic Mass:
191.069g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  
Properties