| CAS Number | 905580-86-1 |
| Catalog Number | AG00GTX4(AGN-PC-0WBN98) |
| Chemical Name | (S)-N-(2,3-Dihydro-1H-inden-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| IUPAC Name | N-[(1S)-2,3-dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
| InChI | InChI=1S/C15H14N4/c1-2-4-11-10(3-1)5-6-13(11)19-15-12-7-8-16-14(12)17-9-18-15/h1-4,7-9,13H,5-6H2,(H2,16,17,18,19)/t13-/m0/s1 |
| InChI Key | UVNSDOGOYDQGLY-ZDUSSCGKSA-N |
| MDL Number | MFCD18207034 |
| Molecular Formula | C15H14N4 |
| Molecular Weight | 250.2985 |
| SMILES | C1Cc2ccccc2[C@H]1Nc3ncnc4[nH]ccc34 |
| Synonyms | 905580-86-1,
(S)-N-(2,3-dihydro-1H-inden-1-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine,
N-[(1S)-2,3-Dihydro-1H-inden-1-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine,
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1H-pyrrolo[2,3-d]pyrimidin-4-amine,
UVNSDOGOYDQGLY-ZDUSSCGKSA-N,
SCHEMBL193515,
DTXSID80730671,
CS-M0201,
2984AH,
MFCD18207034,
ZINC77291843,
SB17717,
CS-13111,
C15H14N4,
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| Complexity | 321 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.122g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.305g/mol |
| Monoisotopic Mass | 250.122g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 53.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
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Certificate of Analysis
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