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88491-58-1 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-2,6,9-trimethyl-
CAS No: 88491-58-1 Catalog No: AG0049YI MDL No:
Product Description
Catalog Number:
AG0049YI
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 3-ethyl-2,6,9-trimethyl-
CAS Number:
88491-58-1
Molecular Formula:
C13H16N2O
Molecular Weight:
216.2789
IUPAC Name:
3-ethyl-2,6,9-trimethylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C13H16N2O/c1-5-11-10(4)14-12-8(2)6-7-9(3)15(12)13(11)16/h6-7H,5H2,1-4H3
InChI Key:
HVFFRYIGIYQONV-UHFFFAOYSA-N
SMILES:
CCc1c(C)nc2n(c1=O)c(C)ccc2C
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.126g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.284g/mol
Monoisotopic Mass:
216.126g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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