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101560-36-5 | 2,4(1H,3H)-Pyrimidinedione, 5-amino-1,6-dimethyl-3-(1-methylethyl)-
CAS No: 101560-36-5 Catalog No: AG0004SJ MDL No:
Product Description
Catalog Number:
AG0004SJ
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 5-amino-1,6-dimethyl-3-(1-methylethyl)-
CAS Number:
101560-36-5
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
IUPAC Name:
5-amino-1,6-dimethyl-3-propan-2-ylpyrimidine-2,4-dione
InChI:
InChI=1S/C9H15N3O2/c1-5(2)12-8(13)7(10)6(3)11(4)9(12)14/h5H,10H2,1-4H3
InChI Key:
VGGNVXWBCWZREM-UHFFFAOYSA-N
SMILES:
Cc1n(C)c(=O)n(c(=O)c1N)C(C)C
Properties
Complexity:
320
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
197.238g/mol
Monoisotopic Mass:
197.116g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
66.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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