2,6-diamino-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

Status : experimental

Chemical Classification

This compound belongs to the class of organic compounds known as quinazolinamines. These are heterocyclic aromatic compounds containing a quianazoline moiety substituted by one or more amine groups.

Quinazolinamines

Organic compounds

Organoheterocyclic compounds

Naphthyridines

Quinazolines

Calculated Property

kind Value Source
logP -0.07 ALOGPS
logS -2.5 ALOGPS
Water Solubility 6.13e-01 g/l ALOGPS
logP -0.36 ChemAxon
IUPAC Name 2,6-diamino-1H,7H,8H-imidazo[4,5-g]quinazolin-8-one ChemAxon
Traditional IUPAC Name 2,6-diamino-1H,7H-imidazo[4,5-g]quinazolin-8-one ChemAxon
Molecular Weight 216.1994 ChemAxon
Monoisotopic Weight 216.075958908 ChemAxon
SMILES NC1=NC2=C(N1)C=C1C(=O)NC(N)=NC1=C2 ChemAxon
Molecular Formula C9H8N6O ChemAxon
InChI InChI=1S/C9H8N6O/c10-8-13-5-1-3-4(2-6(5)14-8)12-9(11)15-7(3)16/h1-2H,(H3,10,13,14)(H3,11,12,15,16) ChemAxon
InChIKey InChIKey=WFECBOHPSURSGU-UHFFFAOYSA-N ChemAxon
Polar Surface Area (PSA) 122.18 ChemAxon
Refractivity 59.27 ChemAxon
Polarizability 21.19 ChemAxon
Rotatable Bond Count 0 ChemAxon
H Bond Acceptor Count 5 ChemAxon
H Bond Donor Count 4 ChemAxon
pKa (strongest acidic) 11.01 ChemAxon
pKa (strongest basic) 5.75 ChemAxon
Physiological Charge 0 ChemAxon
Number of Rings 3 ChemAxon
Bioavailability 1 ChemAxon
Rule of Five 1 ChemAxon
Ghose Filter 1 ChemAxon
MDDR-Like Rule 0 ChemAxon

Target within organism

  • Queuine tRNA-ribosyltransferase : in Zymomonas mobilis subsp. mobilis (strain ATCC 31821 / ZM4 / CP4)