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117090-84-3 | 4(3H)-Pyrimidinone, 5,6-diethyl-
CAS No: 117090-84-3 Catalog No: AG000DPB MDL No:
Product Description
Catalog Number:
AG000DPB
Chemical Name:
4(3H)-Pyrimidinone, 5,6-diethyl-
CAS Number:
117090-84-3
Molecular Formula:
C8H12N2O
Molecular Weight:
152.1937
IUPAC Name:
4,5-diethyl-1H-pyrimidin-6-one
InChI:
InChI=1S/C8H12N2O/c1-3-6-7(4-2)9-5-10-8(6)11/h5H,3-4H2,1-2H3,(H,9,10,11)
InChI Key:
CDBOZDBOEAOCNK-UHFFFAOYSA-N
SMILES:
CCc1c(CC)nc[nH]c1=O
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.095g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.197g/mol
Monoisotopic Mass:
152.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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