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125092-42-4 | 2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(propylamino)-
CAS No: 125092-42-4 Catalog No: AG000N4K MDL No:MFCD01074825
Product Description
Catalog Number:
AG000N4K
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 6-amino-1-methyl-5-(propylamino)-
CAS Number:
125092-42-4
Molecular Formula:
C8H14N4O2
Molecular Weight:
198.2224
MDL Number:
MFCD01074825
IUPAC Name:
6-amino-1-methyl-5-(propylamino)pyrimidine-2,4-dione
InChI:
InChI=1S/C8H14N4O2/c1-3-4-10-5-6(9)12(2)8(14)11-7(5)13/h10H,3-4,9H2,1-2H3,(H,11,13,14)
InChI Key:
PXXPWRGFQVGQAZ-UHFFFAOYSA-N
SMILES:
Cn1c(N)c(NCCC)c(=O)[nH]c1=O
Properties
Complexity:
298
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:
3
Isotope Atom Count:
0
Molecular Weight:
198.226g/mol
Monoisotopic Mass:
198.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
87.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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