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102613-19-4 | 2,4(1H,3H)-Pyrimidinedione, 1-butyl-5-(dimethylamino)-3,6-dimethyl-
CAS No: 102613-19-4 Catalog No: AG0007X6 MDL No:
Product Description
Catalog Number:
AG0007X6
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1-butyl-5-(dimethylamino)-3,6-dimethyl-
CAS Number:
102613-19-4
Molecular Formula:
C12H21N3O2
Molecular Weight:
239.3140
IUPAC Name:
1-butyl-5-(dimethylamino)-3,6-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C12H21N3O2/c1-6-7-8-15-9(2)10(13(3)4)11(16)14(5)12(15)17/h6-8H2,1-5H3
InChI Key:
MWLGWFZXQAMCOB-UHFFFAOYSA-N
SMILES:
CCCCn1c(C)c(N(C)C)c(=O)n(c1=O)C
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.163g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.319g/mol
Monoisotopic Mass:
239.163g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
43.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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