2-Amino-3-Methyl-6-[(1S,2R)-2-(3'-Methyl-4-Biphenylyl)Cyclopropyl]-4(3H)-Pyrimidinone

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Properties Simple | Detailed

Formula C21H21N3O+
IUPAC Name 2-amino-3-methyl-6-[(1s,2r)-2-[4-(m-tolyl)phenyl]cyclopropyl]pyrimidin-4-one
Molecular Mass 331.411 g·mol−1
Heat of Formation 144.9 ± 16.7 kJ·mol−1
Dipole Moment 4.04 ± 1.08 D
Volume 419.59 Å 3
Surface Area 346.51 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 2.76 ± eV
Point Group Symmetry C1
InChIKey STUBOTPNCNDBOA-ROUUACIJSA-N
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