Molecule ID: 5257090

IUPAC Name: 4-(9H-pyrido[3,4-b]indol-1-yl)pyrimidin-2-amine

Description: The molecule is an alkaloid that is beta-carboline substituted at position C-1 by a 2-aminopyrimidin-4-yl moiety. An antiparasitic agent found in Annona montana and Annona foteida. It has a role as a metabolite and an antiparasitic agent. It is an alkaloid, a member of beta-carbolines and an aminopyrimidine. It derives from a beta-carboline and a pyrimidin-2-amine.

SMILES: N=c1nc(-c2nccc3c2[nH]c2ccccc23)cc[nH]1

SELFIES: [N][=C][N][=C][Branch2][Ring1][Ring2][C][=N][C][=C][C][=C][Ring1][=Branch1][NH1][C][=C][C][=C][C][=C][Ring1][=Branch1][Ring1][=Branch2][C][=C][NH1][Ring2][Ring1][Ring1]

InChI: InChI=1S/C15H11N5/c16-15-18-8-6-12(20-15)14-13-10(5-7-17-14)9-3-1-2-4-11(9)19-13/h1-8,19H,(H2,16,18,20)

Molecular Properties:
- Polar Surface Area: 80.5 Ų
- LogP: 1.9