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87591-85-3 | 4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-2-phenyl-
CAS No: 87591-85-3 Catalog No: AG004IKZ MDL No:MFCD06637717
Product Description
Catalog Number:
AG004IKZ
Chemical Name:
4H-Pyrido[1,2-a]pyrimidin-4-one, 8-methyl-2-phenyl-
CAS Number:
87591-85-3
Molecular Formula:
C15H12N2O
Molecular Weight:
236.2686
MDL Number:
MFCD06637717
IUPAC Name:
8-methyl-2-phenylpyrido[1,2-a]pyrimidin-4-one
InChI:
InChI=1S/C15H12N2O/c1-11-7-8-17-14(9-11)16-13(10-15(17)18)12-5-3-2-4-6-12/h2-10H,1H3
InChI Key:
GZKULHFHGSQYTP-UHFFFAOYSA-N
SMILES:
Cc1ccn2c(c1)nc(cc2=O)c1ccccc1
NSC Number:
658866
Properties
Complexity:
491
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.095g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.274g/mol
Monoisotopic Mass:
236.095g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Identification of pyrido[1,2-α]pyrimidine-4-ones as new molecules improving the transcriptional functions of estrogen-related receptor α. | Journal of medicinal chemistry 20111110 |
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