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823220-73-1 | 4-Pyrimidinamine, 6-ethenyl-2-(methylthio)-N,N-dipropyl-
CAS No: 823220-73-1 Catalog No: AG005EGN MDL No:
Product Description
Catalog Number:
AG005EGN
Chemical Name:
4-Pyrimidinamine, 6-ethenyl-2-(methylthio)-N,N-dipropyl-
CAS Number:
823220-73-1
Molecular Formula:
C13H21N3S
Molecular Weight:
251.3909
IUPAC Name:
6-ethenyl-2-methylsulfanyl-N,N-dipropylpyrimidin-4-amine
InChI:
InChI=1S/C13H21N3S/c1-5-8-16(9-6-2)12-10-11(7-3)14-13(15-12)17-4/h7,10H,3,5-6,8-9H2,1-2,4H3
InChI Key:
IRSSVTWABUBYSL-UHFFFAOYSA-N
SMILES:
CCCN(c1cc(C=C)nc(n1)SC)CCC
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.146g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.392g/mol
Monoisotopic Mass:
251.146g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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