Molecule ID: 16725794

IUPAC Name: methyl 6-amino-5-chloro-2-cyclopropylpyrimidine-4-carboxylate

Description: The molecule is a pyrimidinecarboxylate ester that is the methyl ester of aminocyclopyrachlor. It has a role as a herbicide and a synthetic auxin. It is a pyrimidinecarboxylate ester, a primary amino compound, an organochlorine pesticide and a methyl ester. It derives from an aminocyclopyrachlor.

SMILES: COC(=O)c1nc(C2CC2)[nH]c(=N)c1Cl

SELFIES: [C][O][C][=Branch1][C][=O][C][N][=C][Branch1][=Branch1][C][C][C][Ring1][Ring1][NH1][C][=Branch1][C][=N][C][=Ring1][#Branch2][Cl]

InChI: InChI=1S/C9H10ClN3O2/c1-15-9(14)6-5(10)7(11)13-8(12-6)4-2-3-4/h4H,2-3H2,1H3,(H2,11,12,13)

Molecular Properties:
- Polar Surface Area: 78.1 Ų
- LogP: 1.2