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80277-74-3 | 2,4(1H,3H)-Pyrimidinedione, 5-amino-6-(methylamino)-
CAS No: 80277-74-3 Catalog No: AG005425 MDL No:
Product Description
Catalog Number:
AG005425
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-amino-6-(methylamino)-
CAS Number:
80277-74-3
Molecular Formula:
C5H8N4O2
Molecular Weight:
156.1426
IUPAC Name:
5-amino-6-(methylamino)-1H-pyrimidine-2,4-dione
InChI:
InChI=1S/C5H8N4O2/c1-7-3-2(6)4(10)9-5(11)8-3/h6H2,1H3,(H3,7,8,9,10,11)
InChI Key:
JKPRWEKYAXXGIE-UHFFFAOYSA-N
SMILES:
CNc1[nH]c(=O)[nH]c(=O)c1N
Properties
Complexity:
245
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.065g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
156.145g/mol
Monoisotopic Mass:
156.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
96.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.3
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