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Home Other Building Blocks 6-ethyl-2-(pyrrolidin-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

6-ethyl-2-(pyrrolidin-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:
724745-15-7
Catalog Number:
AG019VVN
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
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Product Description
Catalog Number:
AG019VVN
Chemical Name:
6-ethyl-2-(pyrrolidin-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CAS Number:
724745-15-7
Molecular Formula:
C12H15N3OS
Molecular Weight:
249.3320
MDL Number:
MFCD05742259
IUPAC Name:
6-ethyl-2-pyrrolidin-1-yl-3H-thieno[2,3-d]pyrimidin-4-one
InChI:
InChI=1S/C12H15N3OS/c1-2-8-7-9-10(16)13-12(14-11(9)17-8)15-5-3-4-6-15/h7H,2-6H2,1H3,(H,13,14,16)
InChI Key:
BEDUBZHBHWDQDV-UHFFFAOYSA-N
SMILES:
CCc1cc2c(s1)nc([nH]c2=O)N1CCCC1
Properties
Complexity:
352  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.094g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
249.332g/mol
Monoisotopic Mass:
249.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties