| CAS Number | 1093101-52-0 |
| Catalog Number | AG003A0U(AGN-PC-0WCY0T) |
| Chemical Name | 6-(2-Fluoropyridin-3-yl)-9-(Tetrahydro-2H-Pyran-2-yl)-9H-Purine |
| IUPAC Name | 6-(2-fluoropyridin-3-yl)-9-(oxan-2-yl)purine |
| InChI | InChI=1S/C15H14FN5O/c16-14-10(4-3-6-17-14)12-13-15(19-8-18-12)21(9-20-13)11-5-1-2-7-22-11/h3-4,6,8-9,11H,1-2,5,7H2 |
| InChI Key | PCYYHGNCPXKVGI-UHFFFAOYSA-N |
| MDL Number | MFCD28402162 |
| Molecular Formula | C15H14FN5O |
| Molecular Weight | 299.3030 |
| SMILES | FC1=NC=CC=C1C1=C2N=CN(C2=NC=N1)C1OCCCC1 |
| Synonyms | 6-(2-FLUOROPYRIDIN-3-YL)-9-(TETRAHYDRO-2H-PYRAN-2-YL)-9H-PURINE,
1093101-52-0,
SCHEMBL114339,
PCYYHGNCPXKVGI-UHFFFAOYSA-N,
KS-00001BH8,
MFCD28402162,
AKOS026674013,
SY047973,
TZ000700,
CS-0036557,
MFCD28402162 (95%),
6-(2-fluoropyridin-3-yl)-9-(oxan-2-yl)purine,
6-(2-Fluoro-3-pyridyl)-9-(2-tetrahydropyranyl)-9H-purine,
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| Complexity | 387 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.118g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.309g/mol |
| Monoisotopic Mass | 299.118g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 65.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number