Molecule ID: 188337

IUPAC Name: 5-[(4-aminobutylamino)methyl]-1H-pyrimidine-2,4-dione

Description: The molecule is an N-substituted putrescine that is thymine in which a hydrogen of the methyl group has been replaced by one of the amino groups of putrescine. It replaces about half of the thymine residues in the DNA of bacetriophage phiW-14. It is a pyrimidone, a N-substituted putrescine, a secondary amino compound, a tertiary amino compound and a pyrimidine nucleobase. It derives from a thymine.

SMILES: NCCCCNCc1cnc(O)nc1O

SELFIES: [N][C][C][C][C][N][C][C][=C][N][=C][Branch1][C][O][N][=C][Ring1][#Branch1][O]

InChI: InChI=1S/C9H16N4O2/c10-3-1-2-4-11-5-7-6-12-9(15)13-8(7)14/h6,11H,1-5,10H2,(H2,12,13,14,15)

Molecular Properties:
- Polar Surface Area: 96.2 Ų
- LogP: -1.9