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116459-84-8 | 2(1H)-Pyrimidinone, 4-amino-1-butyl-5-methyl-
CAS No: 116459-84-8 Catalog No: AG000CJU MDL No:
Product Description
Catalog Number:
AG000CJU
Chemical Name:
2(1H)-Pyrimidinone, 4-amino-1-butyl-5-methyl-
CAS Number:
116459-84-8
Molecular Formula:
C9H15N3O
Molecular Weight:
181.2349
IUPAC Name:
4-amino-1-butyl-5-methylpyrimidin-2-one
InChI:
InChI=1S/C9H15N3O/c1-3-4-5-12-6-7(2)8(10)11-9(12)13/h6H,3-5H2,1-2H3,(H2,10,11,13)
InChI Key:
POTOBOSYWZWWDI-UHFFFAOYSA-N
SMILES:
Cc1cn(CCCC)c(=O)nc1N
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.239g/mol
Monoisotopic Mass:
181.122g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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