| CAS Number | 1148115-99-4 |
| Catalog Number | AG000FA7(AGN-PC-0WNW01) |
| Chemical Name | 9-[3-(methylamino)azetidin-1-yl]-7-oxa-10,12-diazatricyclo[6.4.0.0²,⁶]dodeca-1(12),2(6),8,10-tetraen-11-amine |
| IUPAC Name | 9-[3-(methylamino)azetidin-1-yl]-7-oxa-10,12-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9,11-tetraen-11-amine |
| InChI | InChI=1S/C13H17N5O/c1-15-7-5-18(6-7)12-11-10(16-13(14)17-12)8-3-2-4-9(8)19-11/h7,15H,2-6H2,1H3,(H2,14,16,17) |
| InChI Key | WUSKTVHULHXVSO-UHFFFAOYSA-N |
| MDL Number | MFCD18633234 |
| Molecular Formula | C13H17N5O |
| Molecular Weight | 259.3070 |
| SMILES | CNC1CN(C1)C=1C2=C(N=C(N1)N)C1=C(O2)CCC1 |
| Synonyms | 1148115-99-4,
SCHEMBL605096,
4-(3-(methylamino)azetidin-1-yl)-7,8-dihydro-6H-cyclopenta[4,5]furo[3,2-d]pyrimidin-2-amine,
6H-Cyclopenta[4,5]furo[3,2-d]pyrimidin-2-amine, 7,8-dihydro-4-[3-(methylamino)-1-azetidinyl]-,
9-[3-(METHYLAMINO)AZETIDIN-1-YL]-7-OXA-10,12-DIAZATRICYCLO[6.4.0.0(2,6)]DODECA-1(12),2(6),8,10-TETRA,
UR-63325,
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| Complexity | 348 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.143g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.313g/mol |
| Monoisotopic Mass | 259.143g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
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Certificate of Analysis
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