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52998-22-8 | 5,6-Diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione
CAS No: 52998-22-8 Catalog No: AG003464 MDL No:MFCD00091838
Product Description
Catalog Number:
AG003464
Chemical Name:
5,6-Diamino-1,3-diethylpyrimidine-2,4(1H,3H)-dione
CAS Number:
52998-22-8
Molecular Formula:
C8H14N4O2
Molecular Weight:
198.2224
MDL Number:
MFCD00091838
IUPAC Name:
5,6-diamino-1,3-diethylpyrimidine-2,4-dione
InChI:
InChI=1S/C8H14N4O2/c1-3-11-6(10)5(9)7(13)12(4-2)8(11)14/h3-4,9-10H2,1-2H3
InChI Key:
UYSUETCFMBIADB-UHFFFAOYSA-N
SMILES:
CCn1c(N)c(N)c(=O)n(c1=O)CC
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
198.226g/mol
Monoisotopic Mass:
198.112g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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