3-(6-{[(1S)-1-(4-Fluorophenyl)Ethyl]Amino}-4-Pyrimidinyl)Pyrazolo[1,5-A]Pyrimidin-2-Amine

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Properties Simple | Detailed

Formula C18H16FN7
IUPAC Name 3-[6-[[(1s)-1-(4-fluorophenyl)ethyl]amino]-5h-pyrimidine-1,3-diium-5-id-4-yl]pyrazolo[1,5-a]pyrimidin-4-ium-3-id-2-amine
Molecular Mass 349.365 g·mol−1
Heat of Formation 384.5 ± 16.7 kJ·mol−1
Dipole Moment 3.31 ± 1.08 D
Volume 397.87 Å 3
Surface Area 359.79 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy 2.10 ± eV
Point Group Symmetry C1
InChIKey PNFXHJHLWYEAPD-NSHDSACASA-N
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Elements H C N F