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100120-62-5 | 2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-3-methyl-1-(2-methylphenyl)-
CAS No: 100120-62-5 Catalog No: AG0000ZV MDL No:
Product Description
Catalog Number:
AG0000ZV
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5,6-diamino-3-methyl-1-(2-methylphenyl)-
CAS Number:
100120-62-5
Molecular Formula:
C12H14N4O2
Molecular Weight:
246.2652
IUPAC Name:
5,6-diamino-3-methyl-1-(2-methylphenyl)pyrimidine-2,4-dione
InChI:
InChI=1S/C12H14N4O2/c1-7-5-3-4-6-8(7)16-10(14)9(13)11(17)15(2)12(16)18/h3-6H,13-14H2,1-2H3
InChI Key:
ARTYUZRVWDBUBK-UHFFFAOYSA-N
SMILES:
Cc1ccccc1n1c(N)c(N)c(=O)n(c1=O)C
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.112g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
246.27g/mol
Monoisotopic Mass:
246.112g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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