4-(2-Amino-4-Methyl-1,3-Thiazol-5-Yl)-N-(3-Nitrophenyl)-2-Pyrimidinamine

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Properties Simple | Detailed

Formula C14H12N6O2S
IUPAC Name 4-methyl-5-[2-(3-nitroanilino)pyrimidin-4-yl]thiazol-2-amine
Molecular Mass 328.349 g·mol−1
Heat of Formation 366.5 ± 16.7 kJ·mol−1
Dipole Moment 8.43 ± 1.08 D
Volume 354.25 Å 3
Surface Area 327.33 Å 2
HOMO Energy -8.82 ± 0.55 eV
LUMO Energy 1.82 ± eV
Point Group Symmetry C1
Synonyms
  • (4-(2-amino-4-methylthiazol-5-yl)pyrimidin-2-yl)-(3-nitrophenyl)amine
  • 4-(2-amino-4-methyl-5-thiazolyl)-n-(3-nitrophenyl)-2-pyrimidinamine
  • 4-(2-amino-4-methyl-thiazol-5-yl)-n-(3-nitrophenyl)pyrimidin-2-amine
  • [4-(2-amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
  • [4-(2-amino-4-methyl-thiazol-5-yl)pyrimidin-2-yl]-(3-nitrophenyl)amine
  • cdk2/9 inhibitor
  • ck7
InChIKey DYTKVFHLKPDNRW-UHFFFAOYSA-N
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