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72412-38-5 | 2-AMINO-N-(2-(BENZYLETHYLAMINO)ETHYL)-4-METHOXY-5-PYRIMIDINECARBOXAMID E
CAS No: 72412-38-5 Catalog No: AG005HLD MDL No:
Product Description
Catalog Number:
AG005HLD
Chemical Name:
2-AMINO-N-(2-(BENZYLETHYLAMINO)ETHYL)-4-METHOXY-5-PYRIMIDINECARBOXAMID E
CAS Number:
72412-38-5
Molecular Formula:
C17H23N5O2
Molecular Weight:
329.3968
IUPAC Name:
2-amino-N-[2-[benzyl(ethyl)amino]ethyl]-4-methoxypyrimidine-5-carboxamide
InChI:
InChI=1S/C17H23N5O2/c1-3-22(12-13-7-5-4-6-8-13)10-9-19-15(23)14-11-20-17(18)21-16(14)24-2/h4-8,11H,3,9-10,12H2,1-2H3,(H,19,23)(H2,18,20,21)
InChI Key:
ZOTASJSDCXLHRR-UHFFFAOYSA-N
SMILES:
COc1nc(N)ncc1C(=O)NCCNCCCc1ccccc1
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.185g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
329.404g/mol
Monoisotopic Mass:
329.185g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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