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Home > Pyridines > 1196154-90-1
1196154-90-1 | Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-phenyl-
CAS No: 1196154-90-1 Catalog No: AG000PC0 MDL No:
Product Description
Catalog Number:
AG000PC0
Chemical Name:
Pyrido[3,4-d]pyrimidine, 5,6,7,8-tetrahydro-2-phenyl-
CAS Number:
1196154-90-1
Molecular Formula:
C13H13N3
Molecular Weight:
211.2624
IUPAC Name:
2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
InChI:
InChI=1S/C13H13N3/c1-2-4-10(5-3-1)13-15-8-11-6-7-14-9-12(11)16-13/h1-5,8,14H,6-7,9H2
InChI Key:
PANVXLVRZWXBLS-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ncc2c(n1)CNCC2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.111g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.268g/mol
Monoisotopic Mass:
211.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
Literature
| Title | Journal |
|---|---|
| Pyrimido[4,5-d]azepines as potent and selective 5-HT2C receptor agonists: design, synthesis, and evaluation of PF-3246799 as a treatment for urinary incontinence. | Bioorganic & medicinal chemistry letters 20110501 |
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