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Home Halogens 4-({4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine

4-({4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine

CAS No.:
568570-10-5
Catalog Number:
AG00IA52
Molecular Formula:
C13H16ClN3OS
Molecular Weight:
297.8036
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Product Description
Catalog Number:
AG00IA52
Chemical Name:
4-({4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl}methyl)morpholine
CAS Number:
568570-10-5
Molecular Formula:
C13H16ClN3OS
Molecular Weight:
297.8036
MDL Number:
MFCD04606926
IUPAC Name:
4-[(4-chloro-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl]morpholine
InChI:
InChI=1S/C13H16ClN3OS/c1-8-9(2)19-13-11(8)12(14)15-10(16-13)7-17-3-5-18-6-4-17/h3-7H2,1-2H3
InChI Key:
IFNLFJLUYQMTKG-UHFFFAOYSA-N
SMILES:
Clc1nc(CN2CCOCC2)nc2c1c(C)c(s2)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.07g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.801g/mol
Monoisotopic Mass:
297.07g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
66.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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