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848475-05-8 | 2,4(1H,3H)-Pyrimidinedione, 6-methyl-, compd. with 1H-purin-6-amine(1:1)
CAS No: 848475-05-8 Catalog No: AG004QT2 MDL No:
Product Description
Catalog Number:
AG004QT2
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-methyl-, compd. with 1H-purin-6-amine(1:1)
CAS Number:
848475-05-8
Molecular Formula:
C10H11N7O2
Molecular Weight:
261.2400
IUPAC Name:
6-methyl-1H-pyrimidine-2,4-dione;7H-purin-6-amine
InChI:
InChI=1S/C5H5N5.C5H6N2O2/c6-4-3-5(9-1-7-3)10-2-8-4;1-3-2-4(8)7-5(9)6-3/h1-2H,(H3,6,7,8,9,10);2H,1H3,(H2,6,7,8,9)
InChI Key:
ZLCPJHIQJAUBEO-UHFFFAOYSA-N
SMILES:
Nc1[nH]cnc2c1ncn2.Cc1cc(=O)[nH]c(=O)[nH]1
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
261.245g/mol
Monoisotopic Mass:
261.097g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
139A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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