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1628317-93-0 | Thieno[2,3-d]pyrimidin-4-amine, N-4-piperidinyl-6-(2,2,2-trifluoroethyl)-
CAS No: 1628317-93-0 Catalog No: AG001TG3 MDL No:MFCD28506298
Product Description
Catalog Number:
AG001TG3
Chemical Name:
Thieno[2,3-d]pyrimidin-4-amine, N-4-piperidinyl-6-(2,2,2-trifluoroethyl)-
CAS Number:
1628317-93-0
Molecular Formula:
C13H15F3N4S
Molecular Weight:
316.3452
MDL Number:
MFCD28506298
IUPAC Name:
N-piperidin-4-yl-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-amine
InChI:
InChI=1S/C13H15F3N4S/c14-13(15,16)6-9-5-10-11(18-7-19-12(10)21-9)20-8-1-3-17-4-2-8/h5,7-8,17H,1-4,6H2,(H,18,19,20)
InChI Key:
CAECZTJRDHCXAW-UHFFFAOYSA-N
SMILES:
FC(Cc1sc2c(c1)c(ncn2)NC1CCNCC1)(F)F
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
316.346g/mol
Monoisotopic Mass:
316.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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