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88945-26-0 | Pyrimidine, 2-(2-phenylethyl)-5-propyl-
CAS No: 88945-26-0 Catalog No: AG0047JG MDL No:
Product Description
Catalog Number:
AG0047JG
Chemical Name:
Pyrimidine, 2-(2-phenylethyl)-5-propyl-
CAS Number:
88945-26-0
Molecular Formula:
C15H18N2
Molecular Weight:
226.3168
IUPAC Name:
2-(2-phenylethyl)-5-propylpyrimidine
InChI:
InChI=1S/C15H18N2/c1-2-6-14-11-16-15(17-12-14)10-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,2,6,9-10H2,1H3
InChI Key:
BHPWRZAJKLPCPI-UHFFFAOYSA-N
SMILES:
CCCc1cnc(nc1)CCc1ccccc1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.147g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
226.323g/mol
Monoisotopic Mass:
226.147g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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