Catalog | OFC935666889 |
CAS | 935666-88-9 |
Category | Fluorinated APIs |
Synonyms | UNII-KL2Z2TLF01; AZD 1480; AZD1480; 5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine |
Purity | 98% |
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IUPAC Name | 5-chloro-2-N-[(1S)-1-(5-fluoropyrimidin-2-yl)ethyl]-4-N-(5-methyl-1H-pyrazol-3-yl)pyrimidine-2,4-diamine |
InChI | InChI=1S/C14H14ClFN8/c1-7-3-11(24-23-7)21-13-10(15)6-19-14(22-13)20-8(2)12-17-4-9(16)5-18-12/h3-6,8H,1-2H3,(H3,19,20,21,22,23,24)/t8-/m0/s1 |
InChI Key | PDOQBOJDRPLBQU-QMMMGPOBSA-N |
Isomeric SMILES | CC1=CC(=NN1)NC2=NC(=NC=C2Cl)N[C@@H](C)C3=NC=C(C=N3)F |
EC Number | 641-076-0 |
Molecular Formula | C14H14ClFN8 |
Molecular Weight | 348.77 |
Density | 1.517 g/cm3 |
XLogP3-AA | 2.4 |
Hydrogen Bond Donor Count | 3 |
Hydrogen Bond Acceptor Count | 8 |
Rotatable Bond Count | 5 |
Exact Mass | 348.1013983 g/mol |
Monoisotopic Mass | 348.1013983 g/mol |
Topological Polar Surface Area | 104Ų |
Heavy Atom Count | 24 |
Formal Charge | 0 |
Complexity | 397 |
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