2-[4-Amino-2-[(1R,2S)-2-Methylcyclohexoxy]-5-Oxo-Pyrido[2,3-D]Pyrimidin-8-Yl]Acetonitrile

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Formula C16H20N5O2
IUPAC Name 2-[4-amino-2-[(1s,2r)-2-methylcyclohexoxy]-5-oxo-pyrido[2,3-d]pyrimidine-1,3-diium-4a-id-8-yl]acetonitrile
Molecular Mass 314.362 g·mol−1
Heat of Formation -108.2 ± 16.7 kJ·mol−1
Dipole Moment 4.31 ± 1.08 D
Volume 372.55 Å 3
Surface Area 321.87 Å 2
HOMO Energy -9.50 ± 0.55 eV
LUMO Energy -0.87 ± eV
Point Group Symmetry C1
InChIKey MZUFVSMPTFUMGZ-PWSUYJOCSA-N
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