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3038-25-3

3038-25-3 | 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[4-(diethylamino)phenyl]-5-ethyl-

CAS No: 3038-25-3 Catalog No: AG002ZXK MDL No:

Product Description

Catalog Number:
AG002ZXK
Chemical Name:
2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-[4-(diethylamino)phenyl]-5-ethyl-
CAS Number:
3038-25-3
Molecular Formula:
C16H21N3O3
Molecular Weight:
303.3562
IUPAC Name:
5-[4-(diethylamino)phenyl]-5-ethyl-1,3-diazinane-2,4,6-trione
InChI:
InChI=1S/C16H21N3O3/c1-4-16(13(20)17-15(22)18-14(16)21)11-7-9-12(10-8-11)19(5-2)6-3/h7-10H,4-6H2,1-3H3,(H2,17,18,20,21,22)
InChI Key:
CKCSVBLIFTUCFH-UHFFFAOYSA-N
SMILES:
CCC1(C(=O)NC(=O)NC1=O)c1ccc(cc1)N(CC)CC
EC Number:
221-238-3

Properties

Complexity:
432  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
303.158g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
303.362g/mol
Monoisotopic Mass:
303.158g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  

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