Molecule ID: 135398563

IUPAC Name: 2-amino-5-(aminomethyl)-3,7-dihydropyrrolo[2,3-d]pyrimidin-4-one

Description: The molecule is a pyrrolopyrimidine that is 7-deazaguanine bearing an aminomethyl substituent at the 7 position. It is a conjugate base of a 7-ammoniomethyl-7-deazaguanine.

SMILES: N=c1nc(O)c2c(CN)c[nH]c2[nH]1

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

InChI: InChI=1S/C7H9N5O/c8-1-3-2-10-5-4(3)6(13)12-7(9)11-5/h2H,1,8H2,(H4,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 109.0 Ų
- LogP: -1.9