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10146-98-2 | 2,4(1H,3H)-Pyrimidinedione, 5,5'-methylenebis[6-amino-1,3-dimethyl-
CAS No: 10146-98-2 Catalog No: AG0004J2 MDL No:
Product Description
Catalog Number:
AG0004J2
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5,5'-methylenebis[6-amino-1,3-dimethyl-
CAS Number:
10146-98-2
Molecular Formula:
C13H18N6O4
Molecular Weight:
322.3198
IUPAC Name:
6-amino-5-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methyl]-1,3-dimethylpyrimidine-2,4-dione
InChI:
InChI=1S/C13H18N6O4/c1-16-8(14)6(10(20)18(3)12(16)22)5-7-9(15)17(2)13(23)19(4)11(7)21/h5,14-15H2,1-4H3
InChI Key:
GTXBIJRVJJTXRU-UHFFFAOYSA-N
SMILES:
Nc1c(Cc2c(N)n(C)c(=O)n(c2=O)C)c(=O)n(c(=O)n1C)C
Properties
Complexity:
637
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.139g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
322.325g/mol
Monoisotopic Mass:
322.139g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
133A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.1
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