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101774-81-6 | 2,4(1H,3H)-Pyrimidinedione, 1,3-diethyl-6-(methylamino)-
CAS No: 101774-81-6 Catalog No: AG0005GE MDL No:
Product Description
Catalog Number:
AG0005GE
Chemical Name:
2,4(1H,3H)-Pyrimidinedione, 1,3-diethyl-6-(methylamino)-
CAS Number:
101774-81-6
Molecular Formula:
C9H15N3O2
Molecular Weight:
197.2343
IUPAC Name:
1,3-diethyl-6-(methylamino)pyrimidine-2,4-dione
InChI:
InChI=1S/C9H15N3O2/c1-4-11-7(10-3)6-8(13)12(5-2)9(11)14/h6,10H,4-5H2,1-3H3
InChI Key:
VBXSHJZYELFCFX-UHFFFAOYSA-N
SMILES:
CNc1cc(=O)n(c(=O)n1CC)CC
Properties
Complexity:
286
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:
3
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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