Molecule ID: 17747875

IUPAC Name: 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylic acid

Description: The molecule is an organochlorine herbicide, the structure of which is that of pyrimidine-4-carboxylic acid substituted at positions 2, 5 and 6 by cyclopropyl, chloro and amino groups respectively. It has a role as a herbicide and a synthetic auxin. It is a member of pyrimidines, a member of cyclopropanes and an organochlorine pesticide. It contains a primary amino group. It is a conjugate acid of an aminocyclopyrachlor(1-).

SMILES: N=c1[nH]c(C2CC2)nc(C(=O)O)c1Cl

SELFIES: [N][=C][NH1][C][Branch1][=Branch1][C][C][C][Ring1][Ring1][=N][C][Branch1][=Branch1][C][=Branch1][C][=O][O][=C][Ring1][N][Cl]

InChI: InChI=1S/C8H8ClN3O2/c9-4-5(8(13)14)11-7(3-1-2-3)12-6(4)10/h3H,1-2H2,(H,13,14)(H2,10,11,12)

Molecular Properties:
- Polar Surface Area: 89.1 Ų
- LogP: 0.9