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88114-40-3 | 4(1H)-Pyrimidinone, 2-amino-5-ethyl-6-phenyl-, hydrazone
CAS No: 88114-40-3 Catalog No: AG004FTF MDL No:
Product Description
Catalog Number:
AG004FTF
Chemical Name:
4(1H)-Pyrimidinone, 2-amino-5-ethyl-6-phenyl-, hydrazone
CAS Number:
88114-40-3
Molecular Formula:
C12H15N5
Molecular Weight:
229.2810
IUPAC Name:
5-ethyl-4-hydrazinyl-6-phenylpyrimidin-2-amine
InChI:
InChI=1S/C12H15N5/c1-2-9-10(8-6-4-3-5-7-8)15-12(13)16-11(9)17-14/h3-7H,2,14H2,1H3,(H3,13,15,16,17)
InChI Key:
JXDZCIRYTABVDS-UHFFFAOYSA-N
SMILES:
CCc1c(=NN)nc([nH]c1c1ccccc1)N
Properties
Complexity:
229
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.133g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
229.287g/mol
Monoisotopic Mass:
229.133g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
89.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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