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1596-98-1 | 4(3H)-Pyrimidinone, 2-amino-6-methyl-5-(4-phenylbutyl)-
CAS No: 1596-98-1 Catalog No: AG001R84 MDL No:
Product Description
Catalog Number:
AG001R84
Chemical Name:
4(3H)-Pyrimidinone, 2-amino-6-methyl-5-(4-phenylbutyl)-
CAS Number:
1596-98-1
Molecular Formula:
C15H19N3O
Molecular Weight:
257.3309
IUPAC Name:
2-amino-4-methyl-5-(4-phenylbutyl)-1H-pyrimidin-6-one
InChI:
InChI=1S/C15H19N3O/c1-11-13(14(19)18-15(16)17-11)10-6-5-9-12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-10H2,1H3,(H3,16,17,18,19)
InChI Key:
NGGQQRQEQYOECL-UHFFFAOYSA-N
SMILES:
Cc1nc(N)[nH]c(=O)c1CCCCc1ccccc1
NSC Number:
86191
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.153g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
257.337g/mol
Monoisotopic Mass:
257.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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