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Home > Pyridines > 2059942-74-2
2059942-74-2 | 8,8-dimethyl-2-phenyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS No: 2059942-74-2 Catalog No: AG01BYSI MDL No:MFCD30487386
Product Description
Catalog Number:
AG01BYSI
Chemical Name:
8,8-dimethyl-2-phenyl-4H,6H,7H,8H,9H-pyrido[1,2-a]pyrimidin-4-one
CAS Number:
2059942-74-2
Molecular Formula:
C16H18N2O
Molecular Weight:
254.3269
MDL Number:
MFCD30487386
IUPAC Name:
8,8-dimethyl-2-phenyl-7,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C16H18N2O/c1-16(2)8-9-18-14(11-16)17-13(10-15(18)19)12-6-4-3-5-7-12/h3-7,10H,8-9,11H2,1-2H3
InChI Key:
PDXKVQJPKBEASQ-UHFFFAOYSA-N
SMILES:
O=c1cc(nc2n1CCC(C2)(C)C)c1ccccc1
Properties
Complexity:
442
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.142g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.333g/mol
Monoisotopic Mass:
254.142g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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